2,14-dimethylpentadecane-2,8,14-triol

C17H36O3 — CID 88582277

IUPAC2,14-dimethylpentadecane-2,8,14-triol
SMILESCC(C)(O)CCCCCC(O)CCCCCC(C)(C)O
InChIInChI=1S/C17H36O3/c1-16(2,19)13-9-5-7-11-15(18)12-8-6-10-14-17(3,4)20/h15,18-20H,5-14H2,1-4H3
InChIKeyCLNMPZMYZSTKMF-UHFFFAOYSA-N
MW288.47 g/mol
LogP3.79
Rot. Bonds12

About 2,14-dimethylpentadecane-2,8,14-triol

2,14-dimethylpentadecane-2,8,14-triol (PubChem CID 88582277) has the molecular formula C17H36O3 and a molecular weight of 288.47 g/mol. Its IUPAC name is 2,14-dimethylpentadecane-2,8,14-triol.

Molecular Properties

Compound Name2,14-dimethylpentadecane-2,8,14-triol
PubChem CID88582277
Molecular FormulaC17H36O3
Molecular Weight288.47 g/mol
Exact Mass288.27
IUPAC Name2,14-dimethylpentadecane-2,8,14-triol
SMILESCC(C)(O)CCCCCC(O)CCCCCC(C)(C)O
InChIInChI=1S/C17H36O3/c1-16(2,19)13-9-5-7-11-15(18)12-8-6-10-14-17(3,4)20/h15,18-20H,5-14H2,1-4H3
InChIKeyCLNMPZMYZSTKMF-UHFFFAOYSA-N
XLogP3.79
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
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'}

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Related Compounds

15-methylhexadecane-1,12,15-triol
CID 90439897
10,13-dimethyltetradecane-1,3,10,13-tetrol
CID 88708863
3,3,15,15-tetramethylheptadecane-1,9,17-triol
CID 59660187
octadecane-1,1,1,12-tetrol
CID 158364721
2,8-dimethyldecan-2-ol
CID 122367233
9,9-dimethyldecan-3-ol
CID 156689502
9,9-dimethyldecan-4-ol
CID 18798749
2,2-dimethyldodecan-6-ol
CID 175569881
octadecane-8,11-diol
CID 101412726
2-methyldodecan-2-ol
CID 547702
2,2,16,16-tetramethylheptadecane-1,9,17-triol;2,2,18,18-tetramethylicosane-1,10-diol
CID 159939869
2,2-dimethylpentadecane-1,8-diol
CID 59660181

Frequently Asked Questions

What is the IUPAC name of 2,14-dimethylpentadecane-2,8,14-triol?
The IUPAC name of 2,14-dimethylpentadecane-2,8,14-triol (CID 88582277) is 2,14-dimethylpentadecane-2,8,14-triol.
What is the SMILES notation for 2,14-dimethylpentadecane-2,8,14-triol?
The canonical SMILES for 2,14-dimethylpentadecane-2,8,14-triol is CC(C)(O)CCCCCC(O)CCCCCC(C)(C)O.
What is the InChIKey of 2,14-dimethylpentadecane-2,8,14-triol?
The InChIKey is CLNMPZMYZSTKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3/c1-16(2,19)13-9-5-7-11-15(18)12-8-6-10-14-17(3,4)20/h15,18-20H,5-14H2,1-4H3.
What are the key properties of 2,14-dimethylpentadecane-2,8,14-triol?
2,14-dimethylpentadecane-2,8,14-triol has a molecular weight of 288.47 g/mol, XLogP of 3.79, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,14-dimethylpentadecane-2,8,14-triol is sourced from PubChem (CID 88582277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).