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

C9H20O2 — CID 87146783

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

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

3-ethyl-2,4-dimethylpentane-2,4-diol (PubChem CID 87146783) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 3-ethyl-2,4-dimethylpentane-2,4-diol.

Molecular Properties

Compound Name3-ethyl-2,4-dimethylpentane-2,4-diol
PubChem CID87146783
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name3-ethyl-2,4-dimethylpentane-2,4-diol
SMILESCCC(C(C)(C)O)C(C)(C)O
InChIInChI=1S/C9H20O2/c1-6-7(8(2,3)10)9(4,5)11/h7,10-11H,6H2,1-5H3
InChIKeyDNMMQPUZMMZFPC-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-2,4-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4-dimethylpentane-2,4-diol?
The IUPAC name of 3-ethyl-2,4-dimethylpentane-2,4-diol (CID 87146783) is 3-ethyl-2,4-dimethylpentane-2,4-diol.
What is the SMILES notation for 3-ethyl-2,4-dimethylpentane-2,4-diol?
The canonical SMILES for 3-ethyl-2,4-dimethylpentane-2,4-diol is CCC(C(C)(C)O)C(C)(C)O.
What is the InChIKey of 3-ethyl-2,4-dimethylpentane-2,4-diol?
The InChIKey is DNMMQPUZMMZFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-6-7(8(2,3)10)9(4,5)11/h7,10-11H,6H2,1-5H3.
What are the key properties of 3-ethyl-2,4-dimethylpentane-2,4-diol?
3-ethyl-2,4-dimethylpentane-2,4-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-2,4-diol is sourced from PubChem (CID 87146783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).