[(1E)-2-pentylcyclotetradecen-1-yl]methanol

C20H38O — CID 13438654

IUPAC[(1E)-2-pentylcyclotetradecen-1-yl]methanol
SMILESCCCCC/C1=C(\CO)CCCCCCCCCCCC1
InChIInChI=1S/C20H38O/c1-2-3-12-15-19-16-13-10-8-6-4-5-7-9-11-14-17-20(19)18-21/h21H,2-18H2,1H3/b20-19+
InChIKeyKMAJYNKBZUNXBD-FMQUCBEESA-N
MW294.52 g/mol
LogP6.55
Rot. Bonds5

About [(1E)-2-pentylcyclotetradecen-1-yl]methanol

[(1E)-2-pentylcyclotetradecen-1-yl]methanol (PubChem CID 13438654) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is [(1E)-2-pentylcyclotetradecen-1-yl]methanol.

Molecular Properties

Compound Name[(1E)-2-pentylcyclotetradecen-1-yl]methanol
PubChem CID13438654
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Name[(1E)-2-pentylcyclotetradecen-1-yl]methanol
SMILESCCCCC/C1=C(\CO)CCCCCCCCCCCC1
InChIInChI=1S/C20H38O/c1-2-3-12-15-19-16-13-10-8-6-4-5-7-9-11-14-17-20(19)18-21/h21H,2-18H2,1H3/b20-19+
InChIKeyKMAJYNKBZUNXBD-FMQUCBEESA-N
XLogP6.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.52
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(1E)-2-pentylcyclotetradecen-1-yl]methanol 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 [(1E)-2-pentylcyclotetradecen-1-yl]methanol?
The IUPAC name of [(1E)-2-pentylcyclotetradecen-1-yl]methanol (CID 13438654) is [(1E)-2-pentylcyclotetradecen-1-yl]methanol.
What is the SMILES notation for [(1E)-2-pentylcyclotetradecen-1-yl]methanol?
The canonical SMILES for [(1E)-2-pentylcyclotetradecen-1-yl]methanol is CCCCC/C1=C(\CO)CCCCCCCCCCCC1.
What is the InChIKey of [(1E)-2-pentylcyclotetradecen-1-yl]methanol?
The InChIKey is KMAJYNKBZUNXBD-FMQUCBEESA-N. The full InChI is InChI=1S/C20H38O/c1-2-3-12-15-19-16-13-10-8-6-4-5-7-9-11-14-17-20(19)18-21/h21H,2-18H2,1H3/b20-19+.
What are the key properties of [(1E)-2-pentylcyclotetradecen-1-yl]methanol?
[(1E)-2-pentylcyclotetradecen-1-yl]methanol has a molecular weight of 294.52 g/mol, XLogP of 6.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-2-pentylcyclotetradecen-1-yl]methanol is sourced from PubChem (CID 13438654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).