8,11-dimethyldodecane-1,8,11-triol

C14H30O3 — CID 90439782

IUPAC8,11-dimethyldodecane-1,8,11-triol
SMILESCC(C)(O)CCC(C)(O)CCCCCCCO
InChIInChI=1S/C14H30O3/c1-13(2,16)10-11-14(3,17)9-7-5-4-6-8-12-15/h15-17H,4-12H2,1-3H3
InChIKeyJVWMMRMRZMVKNU-UHFFFAOYSA-N
MW246.39 g/mol
LogP2.62
Rot. Bonds10

About 8,11-dimethyldodecane-1,8,11-triol

8,11-dimethyldodecane-1,8,11-triol (PubChem CID 90439782) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 8,11-dimethyldodecane-1,8,11-triol.

Molecular Properties

Compound Name8,11-dimethyldodecane-1,8,11-triol
PubChem CID90439782
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name8,11-dimethyldodecane-1,8,11-triol
SMILESCC(C)(O)CCC(C)(O)CCCCCCCO
InChIInChI=1S/C14H30O3/c1-13(2,16)10-11-14(3,17)9-7-5-4-6-8-12-15/h15-17H,4-12H2,1-3H3
InChIKeyJVWMMRMRZMVKNU-UHFFFAOYSA-N
XLogP2.62
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 52.62
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

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13-methylheptacosan-13-ol
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4,7-dimethylpentadecane-4,7-diol
CID 89335583
7-chloro-7-methyloctan-1-ol
CID 139625698
15-methylhexadecane-1,12,15-triol
CID 90439897
(4S)-4-methylhept-6-ene-1,4-diol
CID 10464446
benzoic acid;6-methylheptane-1,6-diol
CID 175023836
6-phenylheptane-1,6-diol
CID 11310303
6-(7-hydroxy-2-methylheptan-2-yl)oxy-6-methylheptan-1-ol
CID 142777284
ethane-1,2-diol;3-methylbutane-1,3-diol
CID 174420399

Frequently Asked Questions

What is the IUPAC name of 8,11-dimethyldodecane-1,8,11-triol?
The IUPAC name of 8,11-dimethyldodecane-1,8,11-triol (CID 90439782) is 8,11-dimethyldodecane-1,8,11-triol.
What is the SMILES notation for 8,11-dimethyldodecane-1,8,11-triol?
The canonical SMILES for 8,11-dimethyldodecane-1,8,11-triol is CC(C)(O)CCC(C)(O)CCCCCCCO.
What is the InChIKey of 8,11-dimethyldodecane-1,8,11-triol?
The InChIKey is JVWMMRMRZMVKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3/c1-13(2,16)10-11-14(3,17)9-7-5-4-6-8-12-15/h15-17H,4-12H2,1-3H3.
What are the key properties of 8,11-dimethyldodecane-1,8,11-triol?
8,11-dimethyldodecane-1,8,11-triol has a molecular weight of 246.39 g/mol, XLogP of 2.62, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11-dimethyldodecane-1,8,11-triol is sourced from PubChem (CID 90439782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).