1-cyclohexylhex-1-en-2-ylcyclohexane

C18H32 — CID 164897102

IUPAC1-cyclohexylhex-1-en-2-ylcyclohexane
SMILESCCCCC(=CC1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H32/c1-2-3-12-18(17-13-8-5-9-14-17)15-16-10-6-4-7-11-16/h15-17H,2-14H2,1H3
InChIKeyVRQRQCLXMRSNCT-UHFFFAOYSA-N
MW248.45 g/mol
LogP6.26
Rot. Bonds5

About 1-cyclohexylhex-1-en-2-ylcyclohexane

1-cyclohexylhex-1-en-2-ylcyclohexane (PubChem CID 164897102) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 1-cyclohexylhex-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name1-cyclohexylhex-1-en-2-ylcyclohexane
PubChem CID164897102
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name1-cyclohexylhex-1-en-2-ylcyclohexane
SMILESCCCCC(=CC1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H32/c1-2-3-12-18(17-13-8-5-9-14-17)15-16-10-6-4-7-11-16/h15-17H,2-14H2,1H3
InChIKeyVRQRQCLXMRSNCT-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 56.26
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-(3-bromo-2-cyclohexylprop-1-enyl)-4-methylcyclohexane
CID 115825412
1-cycloheptylpentan-1-one
CID 65399298
ethyl (2E)-2-(cyclohexylmethylidene)hexanoate
CID 10752447
[(Z)-2-propylhept-1-enyl]cyclopentane
CID 134978984
1-cyclohexyldecan-1-one
CID 63409715
ethyl 3-(cyclopentylmethylidene)heptanoate
CID 71386330
1-(3-chloro-2-cyclohexylprop-1-enyl)-3-methylcyclohexane
CID 115825407
2-cyclohexyl-3-(3-methylcyclohexyl)prop-2-en-1-amine
CID 115825418
3-(cyclobutylmethylidene)octan-2-one
CID 68528900
[(E)-2-iodobut-1-enyl]cyclohexane
CID 11219259
butyl 3-cyclohexyl-2-methylprop-2-enoate
CID 67443261
butyl (E)-3-cyclohexyl-2-methylprop-2-enoate
CID 87402631

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylhex-1-en-2-ylcyclohexane?
The IUPAC name of 1-cyclohexylhex-1-en-2-ylcyclohexane (CID 164897102) is 1-cyclohexylhex-1-en-2-ylcyclohexane.
What is the SMILES notation for 1-cyclohexylhex-1-en-2-ylcyclohexane?
The canonical SMILES for 1-cyclohexylhex-1-en-2-ylcyclohexane is CCCCC(=CC1CCCCC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexylhex-1-en-2-ylcyclohexane?
The InChIKey is VRQRQCLXMRSNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-2-3-12-18(17-13-8-5-9-14-17)15-16-10-6-4-7-11-16/h15-17H,2-14H2,1H3.
What are the key properties of 1-cyclohexylhex-1-en-2-ylcyclohexane?
1-cyclohexylhex-1-en-2-ylcyclohexane has a molecular weight of 248.45 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylhex-1-en-2-ylcyclohexane is sourced from PubChem (CID 164897102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).