3-(1-methylcyclohexyl)pent-4-enylbenzene

C18H26 — CID 15445454

IUPAC3-(1-methylcyclohexyl)pent-4-enylbenzene
SMILESC=CC(CCc1ccccc1)C1(C)CCCCC1
InChIInChI=1S/C18H26/c1-3-17(18(2)14-8-5-9-15-18)13-12-16-10-6-4-7-11-16/h3-4,6-7,10-11,17H,1,5,8-9,12-15H2,2H3
InChIKeyNFSJPADXQSRGFD-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.39
Rot. Bonds5

About 3-(1-methylcyclohexyl)pent-4-enylbenzene

3-(1-methylcyclohexyl)pent-4-enylbenzene (PubChem CID 15445454) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-(1-methylcyclohexyl)pent-4-enylbenzene.

Molecular Properties

Compound Name3-(1-methylcyclohexyl)pent-4-enylbenzene
PubChem CID15445454
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name3-(1-methylcyclohexyl)pent-4-enylbenzene
SMILESC=CC(CCc1ccccc1)C1(C)CCCCC1
InChIInChI=1S/C18H26/c1-3-17(18(2)14-8-5-9-15-18)13-12-16-10-6-4-7-11-16/h3-4,6-7,10-11,17H,1,5,8-9,12-15H2,2H3
InChIKeyNFSJPADXQSRGFD-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylcyclopropyl)but-3-enylbenzene
CID 142432672
1-(1-methylcyclopentyl)-4-phenylbutan-1-amine
CID 115849307
[2-chloro-2-(1-methylcyclohexyl)ethyl]benzene
CID 106828895
N-methyl-1-(2-methyloxan-2-yl)-3-phenylpropan-1-amine
CID 80684297
(3S)-4-methyl-1-phenylhex-5-en-3-ol
CID 177392866
(3R)-N-methyl-5-phenylpent-1-en-3-amine
CID 124509710
(4S)-4-methyl-1-phenylhex-5-en-3-ol
CID 12938739
1-(1-methoxycycloheptyl)-3-phenylpropan-1-ol
CID 116755787
4,4,5,5-tetramethyl-2-[(3R)-5-phenylpent-1-en-3-yl]-1,3,2-dioxaborolane
CID 102582096
3-(4-methoxyphenyl)-1-(1-methylcyclohexyl)propan-1-amine
CID 106830149
1-(2-methylthiolan-2-yl)-3-phenylpropan-1-amine
CID 105094059
[(3R)-3-phenylpent-4-enyl]benzene
CID 134979381

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclohexyl)pent-4-enylbenzene?
The IUPAC name of 3-(1-methylcyclohexyl)pent-4-enylbenzene (CID 15445454) is 3-(1-methylcyclohexyl)pent-4-enylbenzene.
What is the SMILES notation for 3-(1-methylcyclohexyl)pent-4-enylbenzene?
The canonical SMILES for 3-(1-methylcyclohexyl)pent-4-enylbenzene is C=CC(CCc1ccccc1)C1(C)CCCCC1.
What is the InChIKey of 3-(1-methylcyclohexyl)pent-4-enylbenzene?
The InChIKey is NFSJPADXQSRGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-3-17(18(2)14-8-5-9-15-18)13-12-16-10-6-4-7-11-16/h3-4,6-7,10-11,17H,1,5,8-9,12-15H2,2H3.
What are the key properties of 3-(1-methylcyclohexyl)pent-4-enylbenzene?
3-(1-methylcyclohexyl)pent-4-enylbenzene has a molecular weight of 242.41 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclohexyl)pent-4-enylbenzene is sourced from PubChem (CID 15445454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).