2-methyloctadecane-1,2-diol

C19H40O2 — CID 42607319

IUPAC2-methyloctadecane-1,2-diol
SMILESCCCCCCCCCCCCCCCCC(C)(O)CO
InChIInChI=1S/C19H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2,21)18-20/h20-21H,3-18H2,1-2H3
InChIKeyKGAJIIVHPGUGOH-UHFFFAOYSA-N
MW300.53 g/mol
LogP5.60
Rot. Bonds16

About 2-methyloctadecane-1,2-diol

2-methyloctadecane-1,2-diol (PubChem CID 42607319) has the molecular formula C19H40O2 and a molecular weight of 300.53 g/mol. Its IUPAC name is 2-methyloctadecane-1,2-diol.

Molecular Properties

Compound Name2-methyloctadecane-1,2-diol
PubChem CID42607319
Molecular FormulaC19H40O2
Molecular Weight300.53 g/mol
Exact Mass300.30
IUPAC Name2-methyloctadecane-1,2-diol
SMILESCCCCCCCCCCCCCCCCC(C)(O)CO
InChIInChI=1S/C19H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2,21)18-20/h20-21H,3-18H2,1-2H3
InChIKeyKGAJIIVHPGUGOH-UHFFFAOYSA-N
XLogP5.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyloctadecane-1,2-diol?
The IUPAC name of 2-methyloctadecane-1,2-diol (CID 42607319) is 2-methyloctadecane-1,2-diol.
What is the SMILES notation for 2-methyloctadecane-1,2-diol?
The canonical SMILES for 2-methyloctadecane-1,2-diol is CCCCCCCCCCCCCCCCC(C)(O)CO.
What is the InChIKey of 2-methyloctadecane-1,2-diol?
The InChIKey is KGAJIIVHPGUGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2,21)18-20/h20-21H,3-18H2,1-2H3.
What are the key properties of 2-methyloctadecane-1,2-diol?
2-methyloctadecane-1,2-diol has a molecular weight of 300.53 g/mol, XLogP of 5.60, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloctadecane-1,2-diol is sourced from PubChem (CID 42607319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).