2,3,4-trimethylpentane-2,4-diol

C8H18O2 — CID 12896304

IUPAC2,3,4-trimethylpentane-2,4-diol
SMILESCC(C(C)(C)O)C(C)(C)O
InChIInChI=1S/C8H18O2/c1-6(7(2,3)9)8(4,5)10/h6,9-10H,1-5H3
InChIKeyMVHBECGZHRZJKG-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.16
Rot. Bonds2

About 2,3,4-trimethylpentane-2,4-diol

2,3,4-trimethylpentane-2,4-diol (PubChem CID 12896304) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2,3,4-trimethylpentane-2,4-diol.

Molecular Properties

Compound Name2,3,4-trimethylpentane-2,4-diol
PubChem CID12896304
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name2,3,4-trimethylpentane-2,4-diol
SMILESCC(C(C)(C)O)C(C)(C)O
InChIInChI=1S/C8H18O2/c1-6(7(2,3)9)8(4,5)10/h6,9-10H,1-5H3
InChIKeyMVHBECGZHRZJKG-UHFFFAOYSA-N
XLogP1.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,3,4-trimethylpentane-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 2,3,4-trimethylpentane-2,4-diol?
The IUPAC name of 2,3,4-trimethylpentane-2,4-diol (CID 12896304) is 2,3,4-trimethylpentane-2,4-diol.
What is the SMILES notation for 2,3,4-trimethylpentane-2,4-diol?
The canonical SMILES for 2,3,4-trimethylpentane-2,4-diol is CC(C(C)(C)O)C(C)(C)O.
What is the InChIKey of 2,3,4-trimethylpentane-2,4-diol?
The InChIKey is MVHBECGZHRZJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-6(7(2,3)9)8(4,5)10/h6,9-10H,1-5H3.
What are the key properties of 2,3,4-trimethylpentane-2,4-diol?
2,3,4-trimethylpentane-2,4-diol has a molecular weight of 146.23 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethylpentane-2,4-diol is sourced from PubChem (CID 12896304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).