(1-hexa-1,5-dien-2-ylcyclohexyl)benzene

C18H24 — CID 143134347

IUPAC(1-hexa-1,5-dien-2-ylcyclohexyl)benzene
SMILESC=CCCC(=C)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C18H24/c1-3-4-11-16(2)18(14-9-6-10-15-18)17-12-7-5-8-13-17/h3,5,7-8,12-13H,1-2,4,6,9-11,14-15H2
InChIKeyWNCQKFWULDZSGS-UHFFFAOYSA-N
MW240.39 g/mol
LogP5.41
Rot. Bonds5

About (1-hexa-1,5-dien-2-ylcyclohexyl)benzene

(1-hexa-1,5-dien-2-ylcyclohexyl)benzene (PubChem CID 143134347) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is (1-hexa-1,5-dien-2-ylcyclohexyl)benzene.

Molecular Properties

Compound Name(1-hexa-1,5-dien-2-ylcyclohexyl)benzene
PubChem CID143134347
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name(1-hexa-1,5-dien-2-ylcyclohexyl)benzene
SMILESC=CCCC(=C)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C18H24/c1-3-4-11-16(2)18(14-9-6-10-15-18)17-12-7-5-8-13-17/h3,5,7-8,12-13H,1-2,4,6,9-11,14-15H2
InChIKeyWNCQKFWULDZSGS-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.41
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

1-[2-(1-phenylcyclopentyl)prop-2-enyl]piperidine
CID 130330382
N,N-diethyl-2-(1-phenylcycloheptyl)prop-2-en-1-amine
CID 130330510
4-methyl-1-(1-phenylcyclopentyl)pent-4-en-1-one
CID 114473546
(3Z,5E)-5-(1-phenylcyclohexyl)hepta-1,3,5-trien-2-ol
CID 143461732
2-methylpropyl 1-phenylcyclohexane-1-carboxylate
CID 162502203
N-(2-chloroprop-2-enyl)-1-phenylcyclopentane-1-carboxamide
CID 115636963
[2-oxo-2-(1-phenylcyclopentyl)ethyl]phosphonic acid
CID 69250269
1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide
CID 110474016
[1-[1-(2-cyclopropylcyclopropyl)ethenyl]cyclohexyl]benzene
CID 142142830
1-[(E)-but-2-en-2-yl]-1-phenylcycloheptane;ethane;(Z)-prop-1-ene-1,2-diol
CID 143134277
2-imino-1-(1-phenylcyclohexyl)ethanone
CID 90858515

Frequently Asked Questions

What is the IUPAC name of (1-hexa-1,5-dien-2-ylcyclohexyl)benzene?
The IUPAC name of (1-hexa-1,5-dien-2-ylcyclohexyl)benzene (CID 143134347) is (1-hexa-1,5-dien-2-ylcyclohexyl)benzene.
What is the SMILES notation for (1-hexa-1,5-dien-2-ylcyclohexyl)benzene?
The canonical SMILES for (1-hexa-1,5-dien-2-ylcyclohexyl)benzene is C=CCCC(=C)C1(c2ccccc2)CCCCC1.
What is the InChIKey of (1-hexa-1,5-dien-2-ylcyclohexyl)benzene?
The InChIKey is WNCQKFWULDZSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-3-4-11-16(2)18(14-9-6-10-15-18)17-12-7-5-8-13-17/h3,5,7-8,12-13H,1-2,4,6,9-11,14-15H2.
What are the key properties of (1-hexa-1,5-dien-2-ylcyclohexyl)benzene?
(1-hexa-1,5-dien-2-ylcyclohexyl)benzene has a molecular weight of 240.39 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hexa-1,5-dien-2-ylcyclohexyl)benzene is sourced from PubChem (CID 143134347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).