2,13-dimethylpentadecan-4-ol

C17H36O — CID 176880167

IUPAC2,13-dimethylpentadecan-4-ol
SMILESCCC(C)CCCCCCCCC(O)CC(C)C
InChIInChI=1S/C17H36O/c1-5-16(4)12-10-8-6-7-9-11-13-17(18)14-15(2)3/h15-18H,5-14H2,1-4H3
InChIKeyXQPCBPOUWIJOQR-UHFFFAOYSA-N
MW256.47 g/mol
LogP5.56
Rot. Bonds12

About 2,13-dimethylpentadecan-4-ol

2,13-dimethylpentadecan-4-ol (PubChem CID 176880167) has the molecular formula C17H36O and a molecular weight of 256.47 g/mol. Its IUPAC name is 2,13-dimethylpentadecan-4-ol.

Molecular Properties

Compound Name2,13-dimethylpentadecan-4-ol
PubChem CID176880167
Molecular FormulaC17H36O
Molecular Weight256.47 g/mol
Exact Mass256.28
IUPAC Name2,13-dimethylpentadecan-4-ol
SMILESCCC(C)CCCCCCCCC(O)CC(C)C
InChIInChI=1S/C17H36O/c1-5-16(4)12-10-8-6-7-9-11-13-17(18)14-15(2)3/h15-18H,5-14H2,1-4H3
InChIKeyXQPCBPOUWIJOQR-UHFFFAOYSA-N
XLogP5.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.47
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,13-dimethylpentadecan-4-ol 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

(2S,8R)-8-methyldecane-1,2-diol
CID 11469535
(4S)-2-methylnonan-4-ol
CID 86308805
3-methyltridecan-5-ol
CID 13025106
7-methylnonane-1,2-diol
CID 144577410
7-methylnonan-3-ol
CID 64515833
7,9-dimethyldecan-3-ol
CID 156689495
2,11,23-trimethylpentacosane
CID 123728262
(2S)-3,9-dimethylundecan-2-ol
CID 101151522
(7S)-7-methylnonan-1-ol
CID 11105641
(10S)-10-methyldodecan-1-ol
CID 11715372
2,6,13-trimethylpentadecane
CID 123742386
(3R)-10-methylundecan-3-ol
CID 164999222

Frequently Asked Questions

What is the IUPAC name of 2,13-dimethylpentadecan-4-ol?
The IUPAC name of 2,13-dimethylpentadecan-4-ol (CID 176880167) is 2,13-dimethylpentadecan-4-ol.
What is the SMILES notation for 2,13-dimethylpentadecan-4-ol?
The canonical SMILES for 2,13-dimethylpentadecan-4-ol is CCC(C)CCCCCCCCC(O)CC(C)C.
What is the InChIKey of 2,13-dimethylpentadecan-4-ol?
The InChIKey is XQPCBPOUWIJOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O/c1-5-16(4)12-10-8-6-7-9-11-13-17(18)14-15(2)3/h15-18H,5-14H2,1-4H3.
What are the key properties of 2,13-dimethylpentadecan-4-ol?
2,13-dimethylpentadecan-4-ol has a molecular weight of 256.47 g/mol, XLogP of 5.56, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,13-dimethylpentadecan-4-ol is sourced from PubChem (CID 176880167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).