1-butyl-1-ethenylcyclohexane

C12H22 — CID 158478687

IUPAC1-butyl-1-ethenylcyclohexane
SMILESC=CC1(CCCC)CCCCC1
InChIInChI=1S/C12H22/c1-3-5-9-12(4-2)10-7-6-8-11-12/h4H,2-3,5-11H2,1H3
InChIKeyHHGHIVCDAOTVND-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.31
Rot. Bonds4

About 1-butyl-1-ethenylcyclohexane

1-butyl-1-ethenylcyclohexane (PubChem CID 158478687) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1-butyl-1-ethenylcyclohexane.

Molecular Properties

Compound Name1-butyl-1-ethenylcyclohexane
PubChem CID158478687
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1-butyl-1-ethenylcyclohexane
SMILESC=CC1(CCCC)CCCCC1
InChIInChI=1S/C12H22/c1-3-5-9-12(4-2)10-7-6-8-11-12/h4H,2-3,5-11H2,1H3
InChIKeyHHGHIVCDAOTVND-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.31
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-butyl-1-(1-butylcyclohexyl)cyclohexane
CID 173069670
1-ethenyl-1-(methylsulfanylmethyl)cyclooctane
CID 123995657
1-butylcyclohexan-1-ol;prop-2-enoic acid
CID 146449698
1-butylcyclohexan-1-amine
CID 13182498
1-butyl-1-(1-ethylcyclohexyl)cyclohexane
CID 173123724
1-butylcyclohexan-1-amine;hydrochloride
CID 45264189
1-methyl-1-undecylcyclohexane
CID 86137257
1-butyl-1-(4-ethenylcyclohexyl)cyclohexane
CID 162340884
1-butyl-N,N-dimethylcyclohexan-1-amine
CID 21197213
1,1-dipentylcyclononane
CID 169026027
1-methyl-1-undec-1-en-3-ylcyclohexane
CID 11107782
1-(1-butylcyclobutyl)prop-2-en-1-ol
CID 142645457

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-ethenylcyclohexane?
The IUPAC name of 1-butyl-1-ethenylcyclohexane (CID 158478687) is 1-butyl-1-ethenylcyclohexane.
What is the SMILES notation for 1-butyl-1-ethenylcyclohexane?
The canonical SMILES for 1-butyl-1-ethenylcyclohexane is C=CC1(CCCC)CCCCC1.
What is the InChIKey of 1-butyl-1-ethenylcyclohexane?
The InChIKey is HHGHIVCDAOTVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-3-5-9-12(4-2)10-7-6-8-11-12/h4H,2-3,5-11H2,1H3.
What are the key properties of 1-butyl-1-ethenylcyclohexane?
1-butyl-1-ethenylcyclohexane has a molecular weight of 166.31 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-ethenylcyclohexane is sourced from PubChem (CID 158478687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).