4-Methyltetradecane
PubChem CID
520179
Structure
Molecular Formula
Synonyms
- 4-Methyltetradecane
- 25117-24-2
- 4-methyl-tetradecane
- Tetradecane, 4-methyl-
- 4-Methyltetradecane #
Molecular Weight
212.41 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2024-12-07
Description
4-methyl-Tetradecane is an alkane.
Chemical Structure Depiction
4-methyltetradecane
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C15H32/c1-4-6-7-8-9-10-11-12-14-15(3)13-5-2/h15H,4-14H2,1-3H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
ITVMHPMCNRGCIY-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CCCCCCCCCCC(C)CCC
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C15H32
Computed by PubChem 2.2 (PubChem release 2021.10.14)
25117-24-2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
212.41 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
8.1
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
11
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
212.250401021 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
212.250401021 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
0Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
15
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
107
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Standard non-polar
1460, 1459.27, 1459.66, 1459.71, 1460.2
Semi-standard non-polar
1460, 1458.66, 1458.78, 1458.78, 1454, 1457, 1462, 1454, 1455
Standard polar
1455
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=ITVMHPMCNRGCIY-UHFFFAOYSA-N
- ChEBI4-methyl-Tetradecanehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:183309
- EPA DSSTox4-Methyltetradecanehttps://comptox.epa.gov/dashboard/DTXSID60334272CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FooDBLICENSEFooDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (FooDB) and the original publication.https://foodb.ca/about4-Methyltetradecanehttps://foodb.ca/compounds/FDB004634
- Human Metabolome Database (HMDB)LICENSEHMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.http://www.hmdb.ca/citing4-Methyltetradecanehttp://www.hmdb.ca/metabolites/HMDB0302457
- Japan Chemical Substance Dictionary (Nikkaji)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawTetradecane, 4-methyl-http://www.nist.gov/srd/nist1a.cfm
- SpectraBaseTetradecane, 4-methyl-https://spectrabase.com/spectrum/LeAGbX7Z5dY
- Springer Nature
- SpringerMaterials4-methyl-tetradecanehttps://materials.springer.com/substanceprofile/docs/smsid_bopiicdqzyseofrx
- Wikidata4-methyltetradecanehttps://www.wikidata.org/wiki/Q67879616
- PubChem
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 389796602https://pubchem.ncbi.nlm.nih.gov/substance/389796602
CONTENTS