4,7-dimethylpentadecane-4,7-diol

C17H36O2 — CID 89335583

IUPAC4,7-dimethylpentadecane-4,7-diol
SMILESCCCCCCCCC(C)(O)CCC(C)(O)CCC
InChIInChI=1S/C17H36O2/c1-5-7-8-9-10-11-13-17(4,19)15-14-16(3,18)12-6-2/h18-19H,5-15H2,1-4H3
InChIKeyRCJKOZDTQPRYEK-UHFFFAOYSA-N
MW272.47 g/mol
LogP4.82
Rot. Bonds12

About 4,7-dimethylpentadecane-4,7-diol

4,7-dimethylpentadecane-4,7-diol (PubChem CID 89335583) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is 4,7-dimethylpentadecane-4,7-diol.

Molecular Properties

Compound Name4,7-dimethylpentadecane-4,7-diol
PubChem CID89335583
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Name4,7-dimethylpentadecane-4,7-diol
SMILESCCCCCCCCC(C)(O)CCC(C)(O)CCC
InChIInChI=1S/C17H36O2/c1-5-7-8-9-10-11-13-17(4,19)15-14-16(3,18)12-6-2/h18-19H,5-15H2,1-4H3
InChIKeyRCJKOZDTQPRYEK-UHFFFAOYSA-N
XLogP4.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
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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Related Compounds

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2,5-dimethyloctadecane-2,5-diol
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CID 142712851
azane;3-methylhenicosan-3-ol;hydrochloride
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7-hydroxy-7-methyldodecanoic acid
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2-methyldodecan-2-ol
CID 547702
2-methyl-1-(methylamino)undecan-2-ol
CID 66039125
9-ethylheptadecan-9-ol
CID 86166082
4-methyldec-1-yn-4-ol
CID 12573338
1-(tert-butylamino)-2-methylnonan-2-ol
CID 62774519
1-(2-hydroxy-2-methyldodecyl)sulfinyl-2-methyldodecan-2-ol
CID 172710491
4-hydroxy-4-methyltetradecan-2-one
CID 174972394

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethylpentadecane-4,7-diol?
The IUPAC name of 4,7-dimethylpentadecane-4,7-diol (CID 89335583) is 4,7-dimethylpentadecane-4,7-diol.
What is the SMILES notation for 4,7-dimethylpentadecane-4,7-diol?
The canonical SMILES for 4,7-dimethylpentadecane-4,7-diol is CCCCCCCCC(C)(O)CCC(C)(O)CCC.
What is the InChIKey of 4,7-dimethylpentadecane-4,7-diol?
The InChIKey is RCJKOZDTQPRYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2/c1-5-7-8-9-10-11-13-17(4,19)15-14-16(3,18)12-6-2/h18-19H,5-15H2,1-4H3.
What are the key properties of 4,7-dimethylpentadecane-4,7-diol?
4,7-dimethylpentadecane-4,7-diol has a molecular weight of 272.47 g/mol, XLogP of 4.82, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethylpentadecane-4,7-diol is sourced from PubChem (CID 89335583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).