2-octyldecan-1-ol

C18H38O — CID 3084890

IUPAC2-octyldecan-1-ol
SMILESCCCCCCCCC(CO)CCCCCCCC
InChIInChI=1S/C18H38O/c1-3-5-7-9-11-13-15-18(17-19)16-14-12-10-8-6-4-2/h18-19H,3-17H2,1-2H3
InChIKeyJYZLSYFPFQTNNO-UHFFFAOYSA-N
MW270.50 g/mol
LogP6.10
Rot. Bonds15

About 2-octyldecan-1-ol

2-octyldecan-1-ol (PubChem CID 3084890) has the molecular formula C18H38O and a molecular weight of 270.50 g/mol. Its IUPAC name is 2-octyldecan-1-ol.

Molecular Properties

Compound Name2-octyldecan-1-ol
PubChem CID3084890
Molecular FormulaC18H38O
Molecular Weight270.50 g/mol
Exact Mass270.29
IUPAC Name2-octyldecan-1-ol
SMILESCCCCCCCCC(CO)CCCCCCCC
InChIInChI=1S/C18H38O/c1-3-5-7-9-11-13-15-18(17-19)16-14-12-10-8-6-4-2/h18-19H,3-17H2,1-2H3
InChIKeyJYZLSYFPFQTNNO-UHFFFAOYSA-N
XLogP6.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.50
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-octyldecan-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

Frequently Asked Questions

What is the IUPAC name of 2-octyldecan-1-ol?
The IUPAC name of 2-octyldecan-1-ol (CID 3084890) is 2-octyldecan-1-ol.
What is the SMILES notation for 2-octyldecan-1-ol?
The canonical SMILES for 2-octyldecan-1-ol is CCCCCCCCC(CO)CCCCCCCC.
What is the InChIKey of 2-octyldecan-1-ol?
The InChIKey is JYZLSYFPFQTNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O/c1-3-5-7-9-11-13-15-18(17-19)16-14-12-10-8-6-4-2/h18-19H,3-17H2,1-2H3.
What are the key properties of 2-octyldecan-1-ol?
2-octyldecan-1-ol has a molecular weight of 270.50 g/mol, XLogP of 6.10, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octyldecan-1-ol is sourced from PubChem (CID 3084890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).