3-ethyl-2,4-dimethylpentane-2,3-diol

C9H20O2 — CID 23384901

IUPAC3-ethyl-2,4-dimethylpentane-2,3-diol
SMILESCCC(O)(C(C)C)C(C)(C)O
InChIInChI=1S/C9H20O2/c1-6-9(11,7(2)3)8(4,5)10/h7,10-11H,6H2,1-5H3
InChIKeyBCCTUZQBVLNNKU-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.55
Rot. Bonds3

About 3-ethyl-2,4-dimethylpentane-2,3-diol

3-ethyl-2,4-dimethylpentane-2,3-diol (PubChem CID 23384901) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 3-ethyl-2,4-dimethylpentane-2,3-diol.

Molecular Properties

Compound Name3-ethyl-2,4-dimethylpentane-2,3-diol
PubChem CID23384901
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name3-ethyl-2,4-dimethylpentane-2,3-diol
SMILESCCC(O)(C(C)C)C(C)(C)O
InChIInChI=1S/C9H20O2/c1-6-9(11,7(2)3)8(4,5)10/h7,10-11H,6H2,1-5H3
InChIKeyBCCTUZQBVLNNKU-UHFFFAOYSA-N
XLogP1.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-2,4-dimethylpentane-2,3-diol 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

(3S)-2,2-dimethyl-3-propan-2-ylhexan-3-ol
CID 59910933
2-methylpentane-3,3-diol
CID 87103548
2,3,4-trimethylhexane-2,3-diol
CID 12714107
(3R)-3-ethyl-3-methoxy-2,4-dimethylpentan-2-ol
CID 59039431
2,4-dimethyl-3-propylhexane-2,3-diol
CID 69305500
4-(aminomethyl)-2,3,4-trimethylhexan-3-ol
CID 79127301
3,4,4-trimethylhexane-2,3-diol
CID 67159588
2,3-dimethyl(213C)butan-2-ol
CID 100985919
2,5,5-trimethyl-3-propan-2-ylheptan-3-ol
CID 156689537
3-ethyl-2,2-dimethylhexane-3,4-diol
CID 174496301
3,3,4,5-tetramethylheptan-4-ol
CID 22899418
2-methylbutan-2-ol;3-methylbutan-2-ol
CID 87324664

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4-dimethylpentane-2,3-diol?
The IUPAC name of 3-ethyl-2,4-dimethylpentane-2,3-diol (CID 23384901) is 3-ethyl-2,4-dimethylpentane-2,3-diol.
What is the SMILES notation for 3-ethyl-2,4-dimethylpentane-2,3-diol?
The canonical SMILES for 3-ethyl-2,4-dimethylpentane-2,3-diol is CCC(O)(C(C)C)C(C)(C)O.
What is the InChIKey of 3-ethyl-2,4-dimethylpentane-2,3-diol?
The InChIKey is BCCTUZQBVLNNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-6-9(11,7(2)3)8(4,5)10/h7,10-11H,6H2,1-5H3.
What are the key properties of 3-ethyl-2,4-dimethylpentane-2,3-diol?
3-ethyl-2,4-dimethylpentane-2,3-diol has a molecular weight of 160.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4-dimethylpentane-2,3-diol is sourced from PubChem (CID 23384901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).