1-octadec-9-enylcyclohexene

C24H44 — CID 123690376

IUPAC1-octadec-9-enylcyclohexene
SMILESCCCCCCCCC=CCCCCCCCCC1=CCCCC1
InChIInChI=1S/C24H44/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24/h9-10,22H,2-8,11-21,23H2,1H3
InChIKeyWRRYGKWENCOSEM-UHFFFAOYSA-N
MW332.62 g/mol
LogP8.91
Rot. Bonds16

About 1-octadec-9-enylcyclohexene

1-octadec-9-enylcyclohexene (PubChem CID 123690376) has the molecular formula C24H44 and a molecular weight of 332.62 g/mol. Its IUPAC name is 1-octadec-9-enylcyclohexene.

Molecular Properties

Compound Name1-octadec-9-enylcyclohexene
PubChem CID123690376
Molecular FormulaC24H44
Molecular Weight332.62 g/mol
Exact Mass332.34
IUPAC Name1-octadec-9-enylcyclohexene
SMILESCCCCCCCCC=CCCCCCCCCC1=CCCCC1
InChIInChI=1S/C24H44/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24/h9-10,22H,2-8,11-21,23H2,1H3
InChIKeyWRRYGKWENCOSEM-UHFFFAOYSA-N
XLogP8.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.62
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-octylcyclohexene
CID 519088
1-nonylcyclooctene
CID 151486862
1-pentylcyclododecene
CID 150654776
1-hexylcyclobutene
CID 86205685
1-(5-methyltridecyl)cyclopentene
CID 142058433
1-[(E)-hept-1-enyl]cyclohexene
CID 173298368
1-[4-(cyclopenten-1-yl)butyl]cyclopentene
CID 10420053
1-oct-1-enylcyclopentene
CID 134887291
N-[2-(cyclopenten-1-yl)ethyl]hexan-1-amine
CID 106169004
N-[2-(cyclopenten-1-yl)ethyl]dodecan-1-amine
CID 106173944
1-(cyclohexen-1-yl)dodecan-2-amine
CID 116661293
(Z)-heptacos-11-ene
CID 56936074

Frequently Asked Questions

What is the IUPAC name of 1-octadec-9-enylcyclohexene?
The IUPAC name of 1-octadec-9-enylcyclohexene (CID 123690376) is 1-octadec-9-enylcyclohexene.
What is the SMILES notation for 1-octadec-9-enylcyclohexene?
The canonical SMILES for 1-octadec-9-enylcyclohexene is CCCCCCCCC=CCCCCCCCCC1=CCCCC1.
What is the InChIKey of 1-octadec-9-enylcyclohexene?
The InChIKey is WRRYGKWENCOSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24/h9-10,22H,2-8,11-21,23H2,1H3.
What are the key properties of 1-octadec-9-enylcyclohexene?
1-octadec-9-enylcyclohexene has a molecular weight of 332.62 g/mol, XLogP of 8.91, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octadec-9-enylcyclohexene is sourced from PubChem (CID 123690376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).