4-methylpent-1-en-3-ylcyclohexane

C12H22 — CID 15527856

IUPAC4-methylpent-1-en-3-ylcyclohexane
SMILESC=CC(C(C)C)C1CCCCC1
InChIInChI=1S/C12H22/c1-4-12(10(2)3)11-8-6-5-7-9-11/h4,10-12H,1,5-9H2,2-3H3
InChIKeyOJEQIBWMUIZEKZ-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.02
Rot. Bonds3

About 4-methylpent-1-en-3-ylcyclohexane

4-methylpent-1-en-3-ylcyclohexane (PubChem CID 15527856) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 4-methylpent-1-en-3-ylcyclohexane.

Molecular Properties

Compound Name4-methylpent-1-en-3-ylcyclohexane
PubChem CID15527856
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name4-methylpent-1-en-3-ylcyclohexane
SMILESC=CC(C(C)C)C1CCCCC1
InChIInChI=1S/C12H22/c1-4-12(10(2)3)11-8-6-5-7-9-11/h4,10-12H,1,5-9H2,2-3H3
InChIKeyOJEQIBWMUIZEKZ-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

1,2,4-Trivinylcyclohexane
CID 96529
Allylcyclohexane
CID 75027
Cyclohexane, 1-methylene-4-(1-methylethenyl)-
CID 68140
10-Methyl-1-undecene
CID 519941
8-Methyldec-1-ene
CID 521957
3,4-Dimethyl-1-decene
CID 545635
1-Methyl-4-(1-methylethenyl)cyclohexane
CID 14299
3-(2-Methylpropyl)cyclohex-1-ene
CID 20057
4,6,8-Trimethyl-1-nonene
CID 41077
p-Menth-1(7)-ene
CID 517973
2-Menthene
CID 517974
8-Methyl-1-undecene
CID 522552

Frequently Asked Questions

What is the IUPAC name of 4-methylpent-1-en-3-ylcyclohexane?
The IUPAC name of 4-methylpent-1-en-3-ylcyclohexane (CID 15527856) is 4-methylpent-1-en-3-ylcyclohexane.
What is the SMILES notation for 4-methylpent-1-en-3-ylcyclohexane?
The canonical SMILES for 4-methylpent-1-en-3-ylcyclohexane is C=CC(C(C)C)C1CCCCC1.
What is the InChIKey of 4-methylpent-1-en-3-ylcyclohexane?
The InChIKey is OJEQIBWMUIZEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-12(10(2)3)11-8-6-5-7-9-11/h4,10-12H,1,5-9H2,2-3H3.
What are the key properties of 4-methylpent-1-en-3-ylcyclohexane?
4-methylpent-1-en-3-ylcyclohexane 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-methylpent-1-en-3-ylcyclohexane is sourced from PubChem (CID 15527856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).