4-but-3-enyl-1,2-dimethylcyclohexane

C12H22 — CID 59938338

IUPAC4-but-3-enyl-1,2-dimethylcyclohexane
SMILESC=CCCC1CCC(C)C(C)C1
InChIInChI=1S/C12H22/c1-4-5-6-12-8-7-10(2)11(3)9-12/h4,10-12H,1,5-9H2,2-3H3
InChIKeyQACQONMFSDGKOO-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.02
Rot. Bonds3

About 4-but-3-enyl-1,2-dimethylcyclohexane

4-but-3-enyl-1,2-dimethylcyclohexane (PubChem CID 59938338) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 4-but-3-enyl-1,2-dimethylcyclohexane.

Molecular Properties

Compound Name4-but-3-enyl-1,2-dimethylcyclohexane
PubChem CID59938338
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name4-but-3-enyl-1,2-dimethylcyclohexane
SMILESC=CCCC1CCC(C)C(C)C1
InChIInChI=1S/C12H22/c1-4-5-6-12-8-7-10(2)11(3)9-12/h4,10-12H,1,5-9H2,2-3H3
InChIKeyQACQONMFSDGKOO-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.02
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-but-3-enyl-3-chlorocyclopentane
CID 64515663
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1-but-3-enyl-4-(3-propylcyclopentyl)cyclohexane
CID 58555570
4-but-3-enylcyclohexan-1-amine
CID 142229592
1-but-3-enyl-4-(4-ethylcyclohexyl)cyclohexane
CID 53487174
1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane
CID 19070157
but-3-enylcyclododecane
CID 54074675
(3,4-dimethylcyclohexyl)methanol
CID 22708626
[(1R,3S)-3,4-dimethylcyclohexyl]methanol
CID 118389064
4-(3-bromobutyl)-1,2-dimethylcyclohexane
CID 64738699
5-(3,4-dimethylcyclohexyl)pentan-1-ol
CID 126691015
4-[9-(3,4-dimethylcyclohexyl)nonyl]cyclohexane-1-carbaldehyde
CID 88959924

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enyl-1,2-dimethylcyclohexane?
The IUPAC name of 4-but-3-enyl-1,2-dimethylcyclohexane (CID 59938338) is 4-but-3-enyl-1,2-dimethylcyclohexane.
What is the SMILES notation for 4-but-3-enyl-1,2-dimethylcyclohexane?
The canonical SMILES for 4-but-3-enyl-1,2-dimethylcyclohexane is C=CCCC1CCC(C)C(C)C1.
What is the InChIKey of 4-but-3-enyl-1,2-dimethylcyclohexane?
The InChIKey is QACQONMFSDGKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-5-6-12-8-7-10(2)11(3)9-12/h4,10-12H,1,5-9H2,2-3H3.
What are the key properties of 4-but-3-enyl-1,2-dimethylcyclohexane?
4-but-3-enyl-1,2-dimethylcyclohexane has a molecular weight of 166.31 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enyl-1,2-dimethylcyclohexane is sourced from PubChem (CID 59938338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).