(E)-3,4-dimethylhex-3-ene-2,5-diol

C8H16O2 — CID 87521818

IUPAC(E)-3,4-dimethylhex-3-ene-2,5-diol
SMILESC/C(=C(/C)C(C)O)C(C)O
InChIInChI=1S/C8H16O2/c1-5(7(3)9)6(2)8(4)10/h7-10H,1-4H3/b6-5+
InChIKeyVFQOQCXUGDVRAP-AATRIKPKSA-N
MW144.21 g/mol
LogP1.08
Rot. Bonds2

About (E)-3,4-dimethylhex-3-ene-2,5-diol

(E)-3,4-dimethylhex-3-ene-2,5-diol (PubChem CID 87521818) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (E)-3,4-dimethylhex-3-ene-2,5-diol.

Molecular Properties

Compound Name(E)-3,4-dimethylhex-3-ene-2,5-diol
PubChem CID87521818
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(E)-3,4-dimethylhex-3-ene-2,5-diol
SMILESC/C(=C(/C)C(C)O)C(C)O
InChIInChI=1S/C8H16O2/c1-5(7(3)9)6(2)8(4)10/h7-10H,1-4H3/b6-5+
InChIKeyVFQOQCXUGDVRAP-AATRIKPKSA-N
XLogP1.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-3,4-dimethylhex-3-ene-2,5-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 (E)-3,4-dimethylhex-3-ene-2,5-diol?
The IUPAC name of (E)-3,4-dimethylhex-3-ene-2,5-diol (CID 87521818) is (E)-3,4-dimethylhex-3-ene-2,5-diol.
What is the SMILES notation for (E)-3,4-dimethylhex-3-ene-2,5-diol?
The canonical SMILES for (E)-3,4-dimethylhex-3-ene-2,5-diol is C/C(=C(/C)C(C)O)C(C)O.
What is the InChIKey of (E)-3,4-dimethylhex-3-ene-2,5-diol?
The InChIKey is VFQOQCXUGDVRAP-AATRIKPKSA-N. The full InChI is InChI=1S/C8H16O2/c1-5(7(3)9)6(2)8(4)10/h7-10H,1-4H3/b6-5+.
What are the key properties of (E)-3,4-dimethylhex-3-ene-2,5-diol?
(E)-3,4-dimethylhex-3-ene-2,5-diol has a molecular weight of 144.21 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,4-dimethylhex-3-ene-2,5-diol is sourced from PubChem (CID 87521818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).