(1-cyclohex-2-en-1-yl-1-cyclohexylethyl)benzene

C20H28 — CID 163504320

IUPAC(1-cyclohex-2-en-1-yl-1-cyclohexylethyl)benzene
SMILESCC(c1ccccc1)(C1C=CCCC1)C1CCCCC1
InChIInChI=1S/C20H28/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2,5-7,11-13,18-19H,3-4,8-10,14-16H2,1H3
InChIKeyCXHZFIYDCLANEI-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.88
Rot. Bonds3

About (1-cyclohex-2-en-1-yl-1-cyclohexylethyl)benzene

(1-cyclohex-2-en-1-yl-1-cyclohexylethyl)benzene (PubChem CID 163504320) has the molecular formula C20H28 and a molecular weight of 268.44 g/mol. Its IUPAC name is (1-cyclohex-2-en-1-yl-1-cyclohexylethyl)benzene.

Molecular Properties

Compound Name(1-cyclohex-2-en-1-yl-1-cyclohexylethyl)benzene
PubChem CID163504320
Molecular FormulaC20H28
Molecular Weight268.44 g/mol
Exact Mass268.22
IUPAC Name(1-cyclohex-2-en-1-yl-1-cyclohexylethyl)benzene
SMILESCC(c1ccccc1)(C1C=CCCC1)C1CCCCC1
InChIInChI=1S/C20H28/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2,5-7,11-13,18-19H,3-4,8-10,14-16H2,1H3
InChIKeyCXHZFIYDCLANEI-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.88
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-[cyclohex-2-en-1-yl(diphenyl)methyl]-4-iodobenzene
CID 70971788
(3R)-3-tert-butylcyclohexene
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(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083
9-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 123653723
CID 16658373
CID 16658373
2-cycloheptyl-N-methyl-2-phenylbutan-1-amine
CID 82933987
2-cyclohexyl-2-methyl-1,1-diphenylbutan-1-ol
CID 4068699
(1-chloro-2-cyclopentylbutan-2-yl)benzene
CID 82945804
(2-cyclopentyl-1,3-dimethoxypropan-2-yl)benzene
CID 150061832
(1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane
CID 142373793
tert-butylbenzene;cyclohexylbenzene
CID 158089404
1-azabicyclo[2.2.2]octan-3-yl 2-cyclohex-2-en-1-yl-2-hydroxy-2-phenylacetate
CID 3063754

Frequently Asked Questions

What is the IUPAC name of (1-cyclohex-2-en-1-yl-1-cyclohexylethyl)benzene?
The IUPAC name of (1-cyclohex-2-en-1-yl-1-cyclohexylethyl)benzene (CID 163504320) is (1-cyclohex-2-en-1-yl-1-cyclohexylethyl)benzene.
What is the SMILES notation for (1-cyclohex-2-en-1-yl-1-cyclohexylethyl)benzene?
The canonical SMILES for (1-cyclohex-2-en-1-yl-1-cyclohexylethyl)benzene is CC(c1ccccc1)(C1C=CCCC1)C1CCCCC1.
What is the InChIKey of (1-cyclohex-2-en-1-yl-1-cyclohexylethyl)benzene?
The InChIKey is CXHZFIYDCLANEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2,5-7,11-13,18-19H,3-4,8-10,14-16H2,1H3.
What are the key properties of (1-cyclohex-2-en-1-yl-1-cyclohexylethyl)benzene?
(1-cyclohex-2-en-1-yl-1-cyclohexylethyl)benzene has a molecular weight of 268.44 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohex-2-en-1-yl-1-cyclohexylethyl)benzene is sourced from PubChem (CID 163504320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).