octadecane-8,11-diol

C18H38O2 — CID 101412726

IUPACoctadecane-8,11-diol
SMILESCCCCCCCC(O)CCC(O)CCCCCCC
InChIInChI=1S/C18H38O2/c1-3-5-7-9-11-13-17(19)15-16-18(20)14-12-10-8-6-4-2/h17-20H,3-16H2,1-2H3
InChIKeyKLWOKKPITBZDDZ-UHFFFAOYSA-N
MW286.50 g/mol
LogP5.21
Rot. Bonds15

About octadecane-8,11-diol

octadecane-8,11-diol (PubChem CID 101412726) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is octadecane-8,11-diol.

Molecular Properties

Compound Nameoctadecane-8,11-diol
PubChem CID101412726
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Nameoctadecane-8,11-diol
SMILESCCCCCCCC(O)CCC(O)CCCCCCC
InChIInChI=1S/C18H38O2/c1-3-5-7-9-11-13-17(19)15-16-18(20)14-12-10-8-6-4-2/h17-20H,3-16H2,1-2H3
InChIKeyKLWOKKPITBZDDZ-UHFFFAOYSA-N
XLogP5.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze octadecane-8,11-diol 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

nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
tetratetracontan-22-ol
CID 91434437
icosane-5,11-diol
CID 170722582
(5S)-octadecan-5-ol
CID 98231191
tritetracontan-5-ol
CID 162898528
icosane-5,10-diol
CID 170722579

Frequently Asked Questions

What is the IUPAC name of octadecane-8,11-diol?
The IUPAC name of octadecane-8,11-diol (CID 101412726) is octadecane-8,11-diol.
What is the SMILES notation for octadecane-8,11-diol?
The canonical SMILES for octadecane-8,11-diol is CCCCCCCC(O)CCC(O)CCCCCCC.
What is the InChIKey of octadecane-8,11-diol?
The InChIKey is KLWOKKPITBZDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2/c1-3-5-7-9-11-13-17(19)15-16-18(20)14-12-10-8-6-4-2/h17-20H,3-16H2,1-2H3.
What are the key properties of octadecane-8,11-diol?
octadecane-8,11-diol has a molecular weight of 286.50 g/mol, XLogP of 5.21, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octadecane-8,11-diol is sourced from PubChem (CID 101412726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).