1,4-dimethyl-2-pentylcyclohexene

C13H24 — CID 175171026

IUPAC1,4-dimethyl-2-pentylcyclohexene
SMILESCCCCCC1=C(C)CCC(C)C1
InChIInChI=1S/C13H24/c1-4-5-6-7-13-10-11(2)8-9-12(13)3/h11H,4-10H2,1-3H3
InChIKeyXTXHCOHZHRWIKR-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.70
Rot. Bonds4

About 1,4-dimethyl-2-pentylcyclohexene

1,4-dimethyl-2-pentylcyclohexene (PubChem CID 175171026) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1,4-dimethyl-2-pentylcyclohexene.

Molecular Properties

Compound Name1,4-dimethyl-2-pentylcyclohexene
PubChem CID175171026
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1,4-dimethyl-2-pentylcyclohexene
SMILESCCCCCC1=C(C)CCC(C)C1
InChIInChI=1S/C13H24/c1-4-5-6-7-13-10-11(2)8-9-12(13)3/h11H,4-10H2,1-3H3
InChIKeyXTXHCOHZHRWIKR-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
Limonene, (-)-
CID 439250
Beta-Bisabolene
CID 10104370
Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
alpha-Bisabolene
CID 86597
beta-Guaiene
CID 15560252
p-Menth-1-ene
CID 21671
alpha-Camphorene
CID 101750
1-Methyl-4-(6-Methylhepta-1,5-Dien-2-Yl)Cyclohexene
CID 403919
beta-Terpinene
CID 66841
(+)-p-Menth-1-ene
CID 70954

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-pentylcyclohexene?
The IUPAC name of 1,4-dimethyl-2-pentylcyclohexene (CID 175171026) is 1,4-dimethyl-2-pentylcyclohexene.
What is the SMILES notation for 1,4-dimethyl-2-pentylcyclohexene?
The canonical SMILES for 1,4-dimethyl-2-pentylcyclohexene is CCCCCC1=C(C)CCC(C)C1.
What is the InChIKey of 1,4-dimethyl-2-pentylcyclohexene?
The InChIKey is XTXHCOHZHRWIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-4-5-6-7-13-10-11(2)8-9-12(13)3/h11H,4-10H2,1-3H3.
What are the key properties of 1,4-dimethyl-2-pentylcyclohexene?
1,4-dimethyl-2-pentylcyclohexene has a molecular weight of 180.33 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-pentylcyclohexene is sourced from PubChem (CID 175171026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).