13-methylnonadecane-1,2-diol

C20H42O2 — CID 42607320

IUPAC13-methylnonadecane-1,2-diol
SMILESCCCCCCC(C)CCCCCCCCCCC(O)CO
InChIInChI=1S/C20H42O2/c1-3-4-5-12-15-19(2)16-13-10-8-6-7-9-11-14-17-20(22)18-21/h19-22H,3-18H2,1-2H3
InChIKeyRZTUZBQLMLKAGT-UHFFFAOYSA-N
MW314.55 g/mol
LogP5.85
Rot. Bonds17

About 13-methylnonadecane-1,2-diol

13-methylnonadecane-1,2-diol (PubChem CID 42607320) has the molecular formula C20H42O2 and a molecular weight of 314.55 g/mol. Its IUPAC name is 13-methylnonadecane-1,2-diol.

Molecular Properties

Compound Name13-methylnonadecane-1,2-diol
PubChem CID42607320
Molecular FormulaC20H42O2
Molecular Weight314.55 g/mol
Exact Mass314.32
IUPAC Name13-methylnonadecane-1,2-diol
SMILESCCCCCCC(C)CCCCCCCCCCC(O)CO
InChIInChI=1S/C20H42O2/c1-3-4-5-12-15-19(2)16-13-10-8-6-7-9-11-14-17-20(22)18-21/h19-22H,3-18H2,1-2H3
InChIKeyRZTUZBQLMLKAGT-UHFFFAOYSA-N
XLogP5.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.55
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 13-methylnonadecane-1,2-diol 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 13-methylnonadecane-1,2-diol?
The IUPAC name of 13-methylnonadecane-1,2-diol (CID 42607320) is 13-methylnonadecane-1,2-diol.
What is the SMILES notation for 13-methylnonadecane-1,2-diol?
The canonical SMILES for 13-methylnonadecane-1,2-diol is CCCCCCC(C)CCCCCCCCCCC(O)CO.
What is the InChIKey of 13-methylnonadecane-1,2-diol?
The InChIKey is RZTUZBQLMLKAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O2/c1-3-4-5-12-15-19(2)16-13-10-8-6-7-9-11-14-17-20(22)18-21/h19-22H,3-18H2,1-2H3.
What are the key properties of 13-methylnonadecane-1,2-diol?
13-methylnonadecane-1,2-diol has a molecular weight of 314.55 g/mol, XLogP of 5.85, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methylnonadecane-1,2-diol is sourced from PubChem (CID 42607320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).