1-Butoxycyclohexene

C10H18O — CID 21997072

IUPAC1-butoxycyclohexene
SMILESCCCCOC1=CCCCC1
InChIInChI=1S/C10H18O/c1-2-3-9-11-10-7-5-4-6-8-10/h7H,2-6,8-9H2,1H3
InChIKeyVCGVJLPFNCZECQ-UHFFFAOYSA-N
MW154.25 g/mol
LogP3.20
Rot. Bonds4

About 1-Butoxycyclohexene

1-Butoxycyclohexene (PubChem CID 21997072) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-butoxycyclohexene.

Molecular Properties

Compound Name1-Butoxycyclohexene
PubChem CID21997072
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-butoxycyclohexene
SMILESCCCCOC1=CCCCC1
InChIInChI=1S/C10H18O/c1-2-3-9-11-10-7-5-4-6-8-10/h7H,2-6,8-9H2,1H3
InChIKeyVCGVJLPFNCZECQ-UHFFFAOYSA-N
XLogP3.20
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity127

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-Butoxycyclohexene with MolForge

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

Launch Full Analysis

Related Compounds

1-Ethoxycyclohexene
CID 224844
1-Methoxycyclohexene
CID 70264
1-Methoxycyclododecene
CID 520016
6-Fluoro-1-methoxycyclohex-1-ene
CID 13665109
trans-1-Methoxycyclododecene
CID 5463037
1-Prop-2-enoxycyclohexene
CID 12705671
1-Propoxycyclohex-1-ene
CID 20071904
1-Isopropoxycyclohexene
CID 4366136
6-pent-4-enyl-3,4-dihydro-2H-pyran
CID 14487876
(Z)-1,4,7-Trimethoxy-3-nonen
CID 14888382
2-Methyl-6-pentyl-3,4-dihydro-2h-pyran
CID 85678631
(3Z)-4-ethoxyocta-1,3-diene
CID 101004520

Frequently Asked Questions

What is the IUPAC name of 1-Butoxycyclohexene?
The IUPAC name of 1-Butoxycyclohexene (CID 21997072) is 1-butoxycyclohexene.
What is the SMILES notation for 1-Butoxycyclohexene?
The canonical SMILES for 1-Butoxycyclohexene is CCCCOC1=CCCCC1.
What is the InChIKey of 1-Butoxycyclohexene?
The InChIKey is VCGVJLPFNCZECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-2-3-9-11-10-7-5-4-6-8-10/h7H,2-6,8-9H2,1H3.
What are the key properties of 1-Butoxycyclohexene?
1-Butoxycyclohexene has a molecular weight of 154.25 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Butoxycyclohexene is sourced from PubChem (CID 21997072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).