1-butyl-6-methylcyclohexene

C11H20 — CID 13107635

IUPAC1-butyl-6-methylcyclohexene
SMILESCCCCC1=CCCCC1C
InChIInChI=1S/C11H20/c1-3-4-8-11-9-6-5-7-10(11)2/h9-10H,3-8H2,1-2H3
InChIKeyAKSCERABZCSZAN-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.92
Rot. Bonds3

About 1-butyl-6-methylcyclohexene

1-butyl-6-methylcyclohexene (PubChem CID 13107635) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-butyl-6-methylcyclohexene.

Molecular Properties

Compound Name1-butyl-6-methylcyclohexene
PubChem CID13107635
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1-butyl-6-methylcyclohexene
SMILESCCCCC1=CCCCC1C
InChIInChI=1S/C11H20/c1-3-4-8-11-9-6-5-7-10(11)2/h9-10H,3-8H2,1-2H3
InChIKeyAKSCERABZCSZAN-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-methylcyclohexene?
The IUPAC name of 1-butyl-6-methylcyclohexene (CID 13107635) is 1-butyl-6-methylcyclohexene.
What is the SMILES notation for 1-butyl-6-methylcyclohexene?
The canonical SMILES for 1-butyl-6-methylcyclohexene is CCCCC1=CCCCC1C.
What is the InChIKey of 1-butyl-6-methylcyclohexene?
The InChIKey is AKSCERABZCSZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-3-4-8-11-9-6-5-7-10(11)2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-butyl-6-methylcyclohexene?
1-butyl-6-methylcyclohexene has a molecular weight of 152.28 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-methylcyclohexene is sourced from PubChem (CID 13107635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).