1-butyl-1-(4-ethenylcyclohexyl)cyclohexane

C18H32 — CID 162340884

IUPAC1-butyl-1-(4-ethenylcyclohexyl)cyclohexane
SMILESC=CC1CCC(C2(CCCC)CCCCC2)CC1
InChIInChI=1S/C18H32/c1-3-5-13-18(14-7-6-8-15-18)17-11-9-16(4-2)10-12-17/h4,16-17H,2-3,5-15H2,1H3
InChIKeyFDRFVMIJSKKFBM-UHFFFAOYSA-N
MW248.45 g/mol
LogP6.12
Rot. Bonds5

About 1-butyl-1-(4-ethenylcyclohexyl)cyclohexane

1-butyl-1-(4-ethenylcyclohexyl)cyclohexane (PubChem CID 162340884) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 1-butyl-1-(4-ethenylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-butyl-1-(4-ethenylcyclohexyl)cyclohexane
PubChem CID162340884
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name1-butyl-1-(4-ethenylcyclohexyl)cyclohexane
SMILESC=CC1CCC(C2(CCCC)CCCCC2)CC1
InChIInChI=1S/C18H32/c1-3-5-13-18(14-7-6-8-15-18)17-11-9-16(4-2)10-12-17/h4,16-17H,2-3,5-15H2,1H3
InChIKeyFDRFVMIJSKKFBM-UHFFFAOYSA-N
XLogP6.12
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 ≤ 56.12
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

4-(1-butylcyclohexyl)cyclohexane-1-carbaldehyde
CID 174896798
1-butyl-1-cycloheptylcycloheptane
CID 140610618
1-cyclopropyl-1-pentylcyclopropane
CID 173187185
1-butyl-1-cyclohexyl-4-methylcyclohexane
CID 139676896
4-butyl-4-cyclohexylcyclohexane-1-carbonitrile
CID 143135178
1-butyl-1-ethenylcyclohexane
CID 158478687
1-cyclohexyl-1-(3-methoxypropyl)cyclohexane
CID 142637156
6a-prop-2-enyl-2,3,3a,4,5,6-hexahydro-1H-pentalene;octanal
CID 87746163
1-(4-butyl-4-cyclohexyl-1-heptylcyclohexyl)cyclohexane-1-carboxylic acid
CID 18607516
(1S,7S)-1-(4-methylpentyl)bicyclo[5.2.0]nonane
CID 90760848
1,1-dimethylcyclohexane;pent-1-ene;propane
CID 143331368
4-chloro-1-cyclohexyl-1-propylcyclohexane
CID 66776581

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-(4-ethenylcyclohexyl)cyclohexane?
The IUPAC name of 1-butyl-1-(4-ethenylcyclohexyl)cyclohexane (CID 162340884) is 1-butyl-1-(4-ethenylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-butyl-1-(4-ethenylcyclohexyl)cyclohexane?
The canonical SMILES for 1-butyl-1-(4-ethenylcyclohexyl)cyclohexane is C=CC1CCC(C2(CCCC)CCCCC2)CC1.
What is the InChIKey of 1-butyl-1-(4-ethenylcyclohexyl)cyclohexane?
The InChIKey is FDRFVMIJSKKFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-3-5-13-18(14-7-6-8-15-18)17-11-9-16(4-2)10-12-17/h4,16-17H,2-3,5-15H2,1H3.
What are the key properties of 1-butyl-1-(4-ethenylcyclohexyl)cyclohexane?
1-butyl-1-(4-ethenylcyclohexyl)cyclohexane has a molecular weight of 248.45 g/mol, XLogP of 6.12, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-(4-ethenylcyclohexyl)cyclohexane is sourced from PubChem (CID 162340884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).