2,3,5-trimethylhexane-1,3,4,5-tetrol

C9H20O4 — CID 140988285

IUPAC2,3,5-trimethylhexane-1,3,4,5-tetrol
SMILESCC(CO)C(C)(O)C(O)C(C)(C)O
InChIInChI=1S/C9H20O4/c1-6(5-10)9(4,13)7(11)8(2,3)12/h6-7,10-13H,5H2,1-4H3
InChIKeyNIIJZYQAQFSHGW-UHFFFAOYSA-N
MW192.25 g/mol
LogP-0.50
Rot. Bonds4

About 2,3,5-trimethylhexane-1,3,4,5-tetrol

2,3,5-trimethylhexane-1,3,4,5-tetrol (PubChem CID 140988285) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is 2,3,5-trimethylhexane-1,3,4,5-tetrol.

Molecular Properties

Compound Name2,3,5-trimethylhexane-1,3,4,5-tetrol
PubChem CID140988285
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name2,3,5-trimethylhexane-1,3,4,5-tetrol
SMILESCC(CO)C(C)(O)C(O)C(C)(C)O
InChIInChI=1S/C9H20O4/c1-6(5-10)9(4,13)7(11)8(2,3)12/h6-7,10-13H,5H2,1-4H3
InChIKeyNIIJZYQAQFSHGW-UHFFFAOYSA-N
XLogP-0.50
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2,3,5-trimethylhexane-1,3,4,5-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethylpentane-2,3,4-triol;propane-1,2,3-triol
CID 161347790
2,2-dimethylpropane;(2R)-2,3,3-trimethylbutan-1-ol
CID 158433518
(2S,3R)-2,3-dimethylpentane-1,3-diol
CID 15314348
2,3-dimethyl-4-phenylpentane-1,3-diol
CID 141303157
2,3-dimethylpentane-2,4-diol
CID 12896299
3-amino-2,3-dimethylbutan-1-ol;hydrochloride
CID 173013656
3-(4-hydroxy-2,3-dimethylbutan-2-yl)oxy-2,3-dimethylbutan-1-ol
CID 87369520
3-(1-hydroxyethyl)-2,4-dimethylpentane-2,4-diol
CID 87799633
2,2-dimethylpropane;2-methylpropan-1-ol
CID 158369394
ethanol;methanol;2-methylpropan-2-ol;propan-2-ol
CID 157184290
3,3,3-trifluoro-2-methylpropan-1-ol
CID 10148993
3-(aminomethyl)-4,5-dimethylheptan-4-ol
CID 79134739

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethylhexane-1,3,4,5-tetrol?
The IUPAC name of 2,3,5-trimethylhexane-1,3,4,5-tetrol (CID 140988285) is 2,3,5-trimethylhexane-1,3,4,5-tetrol.
What is the SMILES notation for 2,3,5-trimethylhexane-1,3,4,5-tetrol?
The canonical SMILES for 2,3,5-trimethylhexane-1,3,4,5-tetrol is CC(CO)C(C)(O)C(O)C(C)(C)O.
What is the InChIKey of 2,3,5-trimethylhexane-1,3,4,5-tetrol?
The InChIKey is NIIJZYQAQFSHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4/c1-6(5-10)9(4,13)7(11)8(2,3)12/h6-7,10-13H,5H2,1-4H3.
What are the key properties of 2,3,5-trimethylhexane-1,3,4,5-tetrol?
2,3,5-trimethylhexane-1,3,4,5-tetrol has a molecular weight of 192.25 g/mol, XLogP of -0.50, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethylhexane-1,3,4,5-tetrol is sourced from PubChem (CID 140988285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).