4-methyl-3-(4-methylpentyl)cyclohexene

C13H24 — CID 142386798

IUPAC4-methyl-3-(4-methylpentyl)cyclohexene
SMILESCC(C)CCCC1C=CCCC1C
InChIInChI=1S/C13H24/c1-11(2)7-6-10-13-9-5-4-8-12(13)3/h5,9,11-13H,4,6-8,10H2,1-3H3
InChIKeyVHRVPDKVIWDTNU-UHFFFAOYSA-N
MW180.34 g/mol
LogP4.41
Rot. Bonds4

About 4-methyl-3-(4-methylpentyl)cyclohexene

4-methyl-3-(4-methylpentyl)cyclohexene (PubChem CID 142386798) has the molecular formula C13H24 and a molecular weight of 180.34 g/mol. Its IUPAC name is 4-methyl-3-(4-methylpentyl)cyclohexene.

Molecular Properties

Compound Name4-methyl-3-(4-methylpentyl)cyclohexene
PubChem CID142386798
Molecular FormulaC13H24
Molecular Weight180.34 g/mol
Exact Mass180.19
IUPAC Name4-methyl-3-(4-methylpentyl)cyclohexene
SMILESCC(C)CCCC1C=CCCC1C
InChIInChI=1S/C13H24/c1-11(2)7-6-10-13-9-5-4-8-12(13)3/h5,9,11-13H,4,6-8,10H2,1-3H3
InChIKeyVHRVPDKVIWDTNU-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 54.41
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

5-(4-methylpentyl)cyclopenta-1,3-diene
CID 157130017
(3S,4S)-4-methyl-3-propan-2-ylcyclohexene
CID 54375477
1,3-dimethyl-2-(4-methylpentyl)cyclobutane
CID 123570825
(1R,2R)-2-butylcyclohex-3-en-1-ol
CID 11205888
4-methylpentylcyclopentane
CID 523530
2-propylcyclohex-3-en-1-amine
CID 67951489
(6-methylcyclohex-2-en-1-yl)methyl cyclopropanecarboxylate
CID 20519530
N-(5-methylhexyl)cyclohex-2-en-1-amine
CID 107907594
3-methyl-4-(4-methylpentyl)piperidine
CID 106781094
1-ethyl-2-(4-methylpentyl)azetidine
CID 166774488
1-methyl-2-(7-methyloctyl)cyclopropane
CID 123963548
1-butan-2-yl-3-methyl-2-(6-methylheptyl)cyclohexane
CID 143260975

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-methylpentyl)cyclohexene?
The IUPAC name of 4-methyl-3-(4-methylpentyl)cyclohexene (CID 142386798) is 4-methyl-3-(4-methylpentyl)cyclohexene.
What is the SMILES notation for 4-methyl-3-(4-methylpentyl)cyclohexene?
The canonical SMILES for 4-methyl-3-(4-methylpentyl)cyclohexene is CC(C)CCCC1C=CCCC1C.
What is the InChIKey of 4-methyl-3-(4-methylpentyl)cyclohexene?
The InChIKey is VHRVPDKVIWDTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-11(2)7-6-10-13-9-5-4-8-12(13)3/h5,9,11-13H,4,6-8,10H2,1-3H3.
What are the key properties of 4-methyl-3-(4-methylpentyl)cyclohexene?
4-methyl-3-(4-methylpentyl)cyclohexene has a molecular weight of 180.34 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-methylpentyl)cyclohexene is sourced from PubChem (CID 142386798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).