1-Pentyl-2-propylcyclopropane
PubChem CID
543681
Structure
Molecular Formula
Synonyms
- 1-Pentyl-2-propylcyclopropane
- 41977-33-7
- Cyclopropane, 1-pentyl-2-propyl-
- 1-pentyl-2-propyl cyclopropane
- 1-Pentyl-2-propylcyclopropane #
Molecular Weight
154.29 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2025-01-25
Chemical Structure Depiction
1-pentyl-2-propylcyclopropane
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C11H22/c1-3-5-6-8-11-9-10(11)7-4-2/h10-11H,3-9H2,1-2H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
AEXMVQDICNGOEF-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CCCCCC1CC1CCC
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C11H22
Computed by PubChem 2.2 (PubChem release 2021.10.14)
41977-33-7
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
154.29 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
5.4
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
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
154.172150702 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
154.172150702 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
0 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
11
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
96.2
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
2
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)
NIST Number
60848
Library
Main library
Total Peaks
68
m/z Top Peak
55
m/z 2nd Highest
56
m/z 3rd Highest
41
Thumbnail
NIST Number
46785
Library
Replicate library
Total Peaks
38
m/z Top Peak
55
m/z 2nd Highest
56
m/z 3rd Highest
69
Thumbnail
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.
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=AEXMVQDICNGOEF-UHFFFAOYSA-N
- EPA DSSTox1-Pentyl-2-propylcyclopropanehttps://comptox.epa.gov/dashboard/DTXSID10337612
- 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-lawCyclopropane, 1-pentyl-2-propyl-http://www.nist.gov/srd/nist1a.cfm
- SpectraBaseCYCLOPROPANE, 1-PENTYL-2-PROPYL-https://spectrabase.com/spectrum/3Snw8V5QxZj1-Pentyl-2-propylcyclopropanehttps://spectrabase.com/spectrum/EzPcv4OqCnycis-4,5-Methylene-decenehttps://spectrabase.com/spectrum/5hwdc62YXmu
- Springer Nature
- Wikidata1-Pentyl-2-propylcyclopropanehttps://www.wikidata.org/wiki/Q82105515
- PubChem
- PATENTSCOPE (WIPO)SID 399712261https://pubchem.ncbi.nlm.nih.gov/substance/399712261
CONTENTS