2-methylhexadecane-1,2-diol

C17H36O2 — CID 42607316

IUPAC2-methylhexadecane-1,2-diol
SMILESCCCCCCCCCCCCCCC(C)(O)CO
InChIInChI=1S/C17H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(2,19)16-18/h18-19H,3-16H2,1-2H3
InChIKeyBGKYMSPWHCZNLU-UHFFFAOYSA-N
MW272.47 g/mol
LogP4.82
Rot. Bonds14

About 2-methylhexadecane-1,2-diol

2-methylhexadecane-1,2-diol (PubChem CID 42607316) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is 2-methylhexadecane-1,2-diol.

Molecular Properties

Compound Name2-methylhexadecane-1,2-diol
PubChem CID42607316
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Name2-methylhexadecane-1,2-diol
SMILESCCCCCCCCCCCCCCC(C)(O)CO
InChIInChI=1S/C17H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(2,19)16-18/h18-19H,3-16H2,1-2H3
InChIKeyBGKYMSPWHCZNLU-UHFFFAOYSA-N
XLogP4.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.47
LogP ≤ 54.82
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-methylhexadecane-1,2-diol?
The IUPAC name of 2-methylhexadecane-1,2-diol (CID 42607316) is 2-methylhexadecane-1,2-diol.
What is the SMILES notation for 2-methylhexadecane-1,2-diol?
The canonical SMILES for 2-methylhexadecane-1,2-diol is CCCCCCCCCCCCCCC(C)(O)CO.
What is the InChIKey of 2-methylhexadecane-1,2-diol?
The InChIKey is BGKYMSPWHCZNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(2,19)16-18/h18-19H,3-16H2,1-2H3.
What are the key properties of 2-methylhexadecane-1,2-diol?
2-methylhexadecane-1,2-diol has a molecular weight of 272.47 g/mol, XLogP of 4.82, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhexadecane-1,2-diol is sourced from PubChem (CID 42607316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).