15-Methyltritriacontane
PubChem CID
530410
Structure
Molecular Formula
Synonyms
- 15-Methyltritriacontane
- 56987-77-0
- Tritriacontane, 15-methyl-
- DTXSID80336253
- 15-methyltritriacon-tane
Molecular Weight
478.9 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2005-03-27
- Modify:2025-01-25
Chemical Structure Depiction
Conformer generation is disallowed since too flexible
15-methyltritriacontane
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C34H70/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-34(3)32-30-28-26-24-22-17-15-13-11-9-7-5-2/h34H,4-33H2,1-3H3
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
OKQGOONCABNXHR-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCCCCCC
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C34H70
Computed by PubChem 2.1 (PubChem release 2019.06.18)
56987-77-0
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
478.9 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
18.3
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
30
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
478.547752233 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
478.547752233 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
0 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
34
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
333
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
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 2019.01.04)
Standard non-polar
3332 , 3335 , 3335 , 3331 , 3327 , 3333 , 3333
Semi-standard non-polar
3332 , 3325 , 3329 , 3318 , 3329 , 3329 , 3338
Fatty Acyls [FA] -> Hydrocarbons [FA11]
NIST Number
131203
Library
Main library
Total Peaks
88
m/z Top Peak
57
m/z 2nd Highest
43
m/z 3rd Highest
71
Thumbnail
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Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=OKQGOONCABNXHR-UHFFFAOYSA-N
- EPA DSSTox15-Methyltritriacontanehttps://comptox.epa.gov/dashboard/DTXSID80336253CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Japan Chemical Substance Dictionary (Nikkaji)
- LIPID MAPS15-Methyltritriacontanehttps://lipidmaps.org/databases/lmsd/LMFA11000298Lipid Classificationhttps://www.lipidmaps.org/
- Metabolomics Workbench15-Methyltritriacontanehttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=4997
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law15-Methyltritriacontanehttp://www.nist.gov/srd/nist1a.cfm
- Springer Nature
- Wikidata15-Methyltritriacontanehttps://www.wikidata.org/wiki/Q82103217
- PubChem
- PATENTSCOPE (WIPO)SID 387795521https://pubchem.ncbi.nlm.nih.gov/substance/387795521
CONTENTS