2,2-dimethylpentadecane-1,8-diol

C17H36O2 — CID 59660181

IUPAC2,2-dimethylpentadecane-1,8-diol
SMILESCCCCCCCC(O)CCCCCC(C)(C)CO
InChIInChI=1S/C17H36O2/c1-4-5-6-7-9-12-16(19)13-10-8-11-14-17(2,3)15-18/h16,18-19H,4-15H2,1-3H3
InChIKeyITTOETRWFWLFKN-UHFFFAOYSA-N
MW272.47 g/mol
LogP4.68
Rot. Bonds13

About 2,2-dimethylpentadecane-1,8-diol

2,2-dimethylpentadecane-1,8-diol (PubChem CID 59660181) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is 2,2-dimethylpentadecane-1,8-diol.

Molecular Properties

Compound Name2,2-dimethylpentadecane-1,8-diol
PubChem CID59660181
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Name2,2-dimethylpentadecane-1,8-diol
SMILESCCCCCCCC(O)CCCCCC(C)(C)CO
InChIInChI=1S/C17H36O2/c1-4-5-6-7-9-12-16(19)13-10-8-11-14-17(2,3)15-18/h16,18-19H,4-15H2,1-3H3
InChIKeyITTOETRWFWLFKN-UHFFFAOYSA-N
XLogP4.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.47
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-dimethylpentadecane-1,8-diol 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

2,2,16,16-tetramethylheptadecane-1,9,17-triol;2,2,18,18-tetramethylicosane-1,10-diol
CID 159939869
2,2-dimethyldecan-1-ol
CID 520069
octadecane-8,11-diol
CID 101412726
2,2-dimethyldodecan-6-ol
CID 175569881
ethanol;nonacosan-10-ol
CID 87536381
tetratetracontan-22-ol
CID 91434437
(7R)-hexatriacontan-7-ol
CID 88529159
nonacosane-7,20-diol
CID 174949468
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpentadecane-1,8-diol?
The IUPAC name of 2,2-dimethylpentadecane-1,8-diol (CID 59660181) is 2,2-dimethylpentadecane-1,8-diol.
What is the SMILES notation for 2,2-dimethylpentadecane-1,8-diol?
The canonical SMILES for 2,2-dimethylpentadecane-1,8-diol is CCCCCCCC(O)CCCCCC(C)(C)CO.
What is the InChIKey of 2,2-dimethylpentadecane-1,8-diol?
The InChIKey is ITTOETRWFWLFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2/c1-4-5-6-7-9-12-16(19)13-10-8-11-14-17(2,3)15-18/h16,18-19H,4-15H2,1-3H3.
What are the key properties of 2,2-dimethylpentadecane-1,8-diol?
2,2-dimethylpentadecane-1,8-diol has a molecular weight of 272.47 g/mol, XLogP of 4.68, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpentadecane-1,8-diol is sourced from PubChem (CID 59660181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).