1-(cyclohexen-1-yl)-4-methoxybutan-1-ol

C11H20O2 — CID 106657944

IUPAC1-(cyclohexen-1-yl)-4-methoxybutan-1-ol
SMILESCOCCCC(O)C1=CCCCC1
InChIInChI=1S/C11H20O2/c1-13-9-5-8-11(12)10-6-3-2-4-7-10/h6,11-12H,2-5,7-9H2,1H3
InChIKeyROWCMWCVWIAJPT-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.27
Rot. Bonds5

About 1-(cyclohexen-1-yl)-4-methoxybutan-1-ol

1-(cyclohexen-1-yl)-4-methoxybutan-1-ol (PubChem CID 106657944) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-4-methoxybutan-1-ol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-4-methoxybutan-1-ol
PubChem CID106657944
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(cyclohexen-1-yl)-4-methoxybutan-1-ol
SMILESCOCCCC(O)C1=CCCCC1
InChIInChI=1S/C11H20O2/c1-13-9-5-8-11(12)10-6-3-2-4-7-10/h6,11-12H,2-5,7-9H2,1H3
InChIKeyROWCMWCVWIAJPT-UHFFFAOYSA-N
XLogP2.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(cyclohexen-1-yl)-4-methoxybutan-1-ol 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-(cycloocten-1-yl)-4-ethoxybutan-1-ol
CID 106657695
[1-(cyclohepten-1-yl)-4-methoxybutyl]hydrazine
CID 106648972
1-(cyclohepten-1-yl)-3-methoxypropan-1-amine
CID 106652645
1-(cyclopenten-1-yl)hexan-1-ol
CID 62078915
1-(cyclohexen-1-yl)ethane-1,2-diol
CID 10964616
1-(cyclohepten-1-yl)-3-ethylsulfanylpropan-1-ol
CID 106651633
1-(cyclohexen-1-yl)-2-methylsulfanylethanol
CID 106657946
1-(cyclohexen-1-yl)-5-methoxypentan-2-amine
CID 114857019
1-(cyclohexen-1-yl)-N-ethyl-3-methoxypropan-1-amine
CID 106652652
1-(cycloocten-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 106657751
1-(cyclohexen-1-yl)-5-methoxy-N-methylpentan-2-amine
CID 114857021
1-(cyclohexen-1-yl)-2-methoxy-N-methylethanamine
CID 106652673

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-4-methoxybutan-1-ol?
The IUPAC name of 1-(cyclohexen-1-yl)-4-methoxybutan-1-ol (CID 106657944) is 1-(cyclohexen-1-yl)-4-methoxybutan-1-ol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-4-methoxybutan-1-ol?
The canonical SMILES for 1-(cyclohexen-1-yl)-4-methoxybutan-1-ol is COCCCC(O)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-4-methoxybutan-1-ol?
The InChIKey is ROWCMWCVWIAJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-13-9-5-8-11(12)10-6-3-2-4-7-10/h6,11-12H,2-5,7-9H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-4-methoxybutan-1-ol?
1-(cyclohexen-1-yl)-4-methoxybutan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-4-methoxybutan-1-ol is sourced from PubChem (CID 106657944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).