3,5-dimethylhexane-1,2,4,6-tetrol

C8H18O4 — CID 14758507

IUPAC3,5-dimethylhexane-1,2,4,6-tetrol
SMILESCC(CO)C(O)C(C)C(O)CO
InChIInChI=1S/C8H18O4/c1-5(3-9)8(12)6(2)7(11)4-10/h5-12H,3-4H2,1-2H3
InChIKeyKZSOWECLSVHPND-UHFFFAOYSA-N
MW178.23 g/mol
LogP-1.03
Rot. Bonds5

About 3,5-dimethylhexane-1,2,4,6-tetrol

3,5-dimethylhexane-1,2,4,6-tetrol (PubChem CID 14758507) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3,5-dimethylhexane-1,2,4,6-tetrol.

Molecular Properties

Compound Name3,5-dimethylhexane-1,2,4,6-tetrol
PubChem CID14758507
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Name3,5-dimethylhexane-1,2,4,6-tetrol
SMILESCC(CO)C(O)C(C)C(O)CO
InChIInChI=1S/C8H18O4/c1-5(3-9)8(12)6(2)7(11)4-10/h5-12H,3-4H2,1-2H3
InChIKeyKZSOWECLSVHPND-UHFFFAOYSA-N
XLogP-1.03
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylhexane-1,2,3,5,6-pentol
CID 157441175
3,4-dimethylpentane-1,2,5-triol
CID 91805402
(2R,3R,4R,5S)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3S,4S)-2,6,6-trimethylheptane-1,3,4-triol;(2S,3R,4S,5R)-3,7,7-trimethyloctane-1,2,4,5-tetrol
CID 159414680
(2S,3S)-3-methylbutane-1,2,4-triol
CID 10877097
2,4,6-trimethylnonane-1,3,5,8-tetrol
CID 121009985
2,6-dimethylheptane-1,3,4-triol
CID 123372157
2-methylheptane-1,3,4,6-tetrol
CID 57029601
(2S,3R)-2,4-dimethylhexane-1,3-diol
CID 130918298
(2R,3S,4S,5S,6S)-2-methylheptane-1,3,4,5,6-pentol
CID 176637689
(2S,3R,4S)-2,4-dimethylhexane-1,3-diol
CID 10931577
CID 87266813
CID 87266813
(2S,3S,4R,5R,6R,7S,8S)-9-methoxy-2,4,6,8-tetramethyldecane-1,3,5,7,10-pentol
CID 134878459

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylhexane-1,2,4,6-tetrol?
The IUPAC name of 3,5-dimethylhexane-1,2,4,6-tetrol (CID 14758507) is 3,5-dimethylhexane-1,2,4,6-tetrol.
What is the SMILES notation for 3,5-dimethylhexane-1,2,4,6-tetrol?
The canonical SMILES for 3,5-dimethylhexane-1,2,4,6-tetrol is CC(CO)C(O)C(C)C(O)CO.
What is the InChIKey of 3,5-dimethylhexane-1,2,4,6-tetrol?
The InChIKey is KZSOWECLSVHPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4/c1-5(3-9)8(12)6(2)7(11)4-10/h5-12H,3-4H2,1-2H3.
What are the key properties of 3,5-dimethylhexane-1,2,4,6-tetrol?
3,5-dimethylhexane-1,2,4,6-tetrol has a molecular weight of 178.23 g/mol, XLogP of -1.03, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylhexane-1,2,4,6-tetrol is sourced from PubChem (CID 14758507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).