4-butyl-1-methoxycyclohexene

C11H20O — CID 21387470

IUPAC4-butyl-1-methoxycyclohexene
SMILESCCCCC1CC=C(OC)CC1
InChIInChI=1S/C11H20O/c1-3-4-5-10-6-8-11(12-2)9-7-10/h8,10H,3-7,9H2,1-2H3
InChIKeyDNIJNXXKJCOGKS-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.51
Rot. Bonds4

About 4-butyl-1-methoxycyclohexene

4-butyl-1-methoxycyclohexene (PubChem CID 21387470) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-butyl-1-methoxycyclohexene.

Molecular Properties

Compound Name4-butyl-1-methoxycyclohexene
PubChem CID21387470
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4-butyl-1-methoxycyclohexene
SMILESCCCCC1CC=C(OC)CC1
InChIInChI=1S/C11H20O/c1-3-4-5-10-6-8-11(12-2)9-7-10/h8,10H,3-7,9H2,1-2H3
InChIKeyDNIJNXXKJCOGKS-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-butyl-1-methoxycyclohexene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-methoxycyclohexene?
The IUPAC name of 4-butyl-1-methoxycyclohexene (CID 21387470) is 4-butyl-1-methoxycyclohexene.
What is the SMILES notation for 4-butyl-1-methoxycyclohexene?
The canonical SMILES for 4-butyl-1-methoxycyclohexene is CCCCC1CC=C(OC)CC1.
What is the InChIKey of 4-butyl-1-methoxycyclohexene?
The InChIKey is DNIJNXXKJCOGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-3-4-5-10-6-8-11(12-2)9-7-10/h8,10H,3-7,9H2,1-2H3.
What are the key properties of 4-butyl-1-methoxycyclohexene?
4-butyl-1-methoxycyclohexene has a molecular weight of 168.28 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-methoxycyclohexene is sourced from PubChem (CID 21387470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).