15-methylhexadecane-1,12,15-triol

C17H36O3 — CID 90439897

IUPAC15-methylhexadecane-1,12,15-triol
SMILESCC(C)(O)CCC(O)CCCCCCCCCCCO
InChIInChI=1S/C17H36O3/c1-17(2,20)14-13-16(19)12-10-8-6-4-3-5-7-9-11-15-18/h16,18-20H,3-15H2,1-2H3
InChIKeySKVTYIWSRURELP-UHFFFAOYSA-N
MW288.47 g/mol
LogP3.79
Rot. Bonds14

About 15-methylhexadecane-1,12,15-triol

15-methylhexadecane-1,12,15-triol (PubChem CID 90439897) has the molecular formula C17H36O3 and a molecular weight of 288.47 g/mol. Its IUPAC name is 15-methylhexadecane-1,12,15-triol.

Molecular Properties

Compound Name15-methylhexadecane-1,12,15-triol
PubChem CID90439897
Molecular FormulaC17H36O3
Molecular Weight288.47 g/mol
Exact Mass288.27
IUPAC Name15-methylhexadecane-1,12,15-triol
SMILESCC(C)(O)CCC(O)CCCCCCCCCCCO
InChIInChI=1S/C17H36O3/c1-17(2,20)14-13-16(19)12-10-8-6-4-3-5-7-9-11-15-18/h16,18-20H,3-15H2,1-2H3
InChIKeySKVTYIWSRURELP-UHFFFAOYSA-N
XLogP3.79
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.47
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 15-methylhexadecane-1,12,15-triol 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

2,14-dimethylpentadecane-2,8,14-triol
CID 88582277
hexadecane-1,8,16-triol
CID 11403100
heptacosane-1,10,27-triol
CID 56980866
hexacosane-1,8,19,26-tetrol
CID 167004997
10,13-dimethyltetradecane-1,3,10,13-tetrol
CID 88708863
tridecane-1,4,13-triol
CID 90439734
10-methylundecane-1,6,8,10-tetrol
CID 90955825
hexadecane-1,3,16-triol
CID 90439794
octadecane-1,3,18-triol
CID 90439804
icosane-1,11-diol
CID 56976881
docosane-1,11-diol
CID 54487610
tetracosane-1,19-diol
CID 175364022

Frequently Asked Questions

What is the IUPAC name of 15-methylhexadecane-1,12,15-triol?
The IUPAC name of 15-methylhexadecane-1,12,15-triol (CID 90439897) is 15-methylhexadecane-1,12,15-triol.
What is the SMILES notation for 15-methylhexadecane-1,12,15-triol?
The canonical SMILES for 15-methylhexadecane-1,12,15-triol is CC(C)(O)CCC(O)CCCCCCCCCCCO.
What is the InChIKey of 15-methylhexadecane-1,12,15-triol?
The InChIKey is SKVTYIWSRURELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3/c1-17(2,20)14-13-16(19)12-10-8-6-4-3-5-7-9-11-15-18/h16,18-20H,3-15H2,1-2H3.
What are the key properties of 15-methylhexadecane-1,12,15-triol?
15-methylhexadecane-1,12,15-triol has a molecular weight of 288.47 g/mol, XLogP of 3.79, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methylhexadecane-1,12,15-triol is sourced from PubChem (CID 90439897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).