8,10-dimethylundecane-1,8,10-triol

C13H28O3 — CID 90439764

IUPAC8,10-dimethylundecane-1,8,10-triol
SMILESCC(C)(O)CC(C)(O)CCCCCCCO
InChIInChI=1S/C13H28O3/c1-12(2,15)11-13(3,16)9-7-5-4-6-8-10-14/h14-16H,4-11H2,1-3H3
InChIKeyQAHXSNUIYGTERS-UHFFFAOYSA-N
MW232.36 g/mol
LogP2.23
Rot. Bonds9

About 8,10-dimethylundecane-1,8,10-triol

8,10-dimethylundecane-1,8,10-triol (PubChem CID 90439764) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is 8,10-dimethylundecane-1,8,10-triol.

Molecular Properties

Compound Name8,10-dimethylundecane-1,8,10-triol
PubChem CID90439764
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name8,10-dimethylundecane-1,8,10-triol
SMILESCC(C)(O)CC(C)(O)CCCCCCCO
InChIInChI=1S/C13H28O3/c1-12(2,15)11-13(3,16)9-7-5-4-6-8-10-14/h14-16H,4-11H2,1-3H3
InChIKeyQAHXSNUIYGTERS-UHFFFAOYSA-N
XLogP2.23
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 52.23
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

8,11-dimethyldodecane-1,8,11-triol
CID 90439782
7-chloro-7-methyloctan-1-ol
CID 139625698
(4S)-4-methylhept-6-ene-1,4-diol
CID 10464446
18-hydroxy-2,2-dimethyloctadecanoic acid
CID 12988628
6-phenylheptane-1,6-diol
CID 11310303
decan-1-ol;8,8-dimethylundecan-1-ol
CID 162145912
8,8,8-trifluoro-7-(trifluoromethyl)octane-1,7-diol
CID 53430948
6-(7-hydroxy-2-methylheptan-2-yl)oxy-6-methylheptan-1-ol
CID 142777284
4,4,5-trimethylhexane-1,5-diol
CID 161320842
13-methylheptacosan-13-ol
CID 87343529
4-decyltetradecane-1,4-diol
CID 170650453
7-methoxy-7-methyloctan-1-ol
CID 175444354

Frequently Asked Questions

What is the IUPAC name of 8,10-dimethylundecane-1,8,10-triol?
The IUPAC name of 8,10-dimethylundecane-1,8,10-triol (CID 90439764) is 8,10-dimethylundecane-1,8,10-triol.
What is the SMILES notation for 8,10-dimethylundecane-1,8,10-triol?
The canonical SMILES for 8,10-dimethylundecane-1,8,10-triol is CC(C)(O)CC(C)(O)CCCCCCCO.
What is the InChIKey of 8,10-dimethylundecane-1,8,10-triol?
The InChIKey is QAHXSNUIYGTERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3/c1-12(2,15)11-13(3,16)9-7-5-4-6-8-10-14/h14-16H,4-11H2,1-3H3.
What are the key properties of 8,10-dimethylundecane-1,8,10-triol?
8,10-dimethylundecane-1,8,10-triol has a molecular weight of 232.36 g/mol, XLogP of 2.23, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dimethylundecane-1,8,10-triol is sourced from PubChem (CID 90439764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).