(E)-3-methylpent-2-ene-1,5-diol

C6H12O2 — CID 5362855

IUPAC(E)-3-methylpent-2-ene-1,5-diol
SMILESC/C(=C\CO)CCO
InChIInChI=1S/C6H12O2/c1-6(2-4-7)3-5-8/h2,7-8H,3-5H2,1H3/b6-2+
InChIKeyTWUDHDJKTHYMGY-QHHAFSJGSA-N
MW116.16 g/mol
LogP0.31
Rot. Bonds3

About (E)-3-methylpent-2-ene-1,5-diol

(E)-3-methylpent-2-ene-1,5-diol (PubChem CID 5362855) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (E)-3-methylpent-2-ene-1,5-diol.

Molecular Properties

Compound Name(E)-3-methylpent-2-ene-1,5-diol
PubChem CID5362855
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(E)-3-methylpent-2-ene-1,5-diol
SMILESC/C(=C\CO)CCO
InChIInChI=1S/C6H12O2/c1-6(2-4-7)3-5-8/h2,7-8H,3-5H2,1H3/b6-2+
InChIKeyTWUDHDJKTHYMGY-QHHAFSJGSA-N
XLogP0.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-methylpent-2-ene-1,5-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-methylpent-2-ene-1,5-diol?
The IUPAC name of (E)-3-methylpent-2-ene-1,5-diol (CID 5362855) is (E)-3-methylpent-2-ene-1,5-diol.
What is the SMILES notation for (E)-3-methylpent-2-ene-1,5-diol?
The canonical SMILES for (E)-3-methylpent-2-ene-1,5-diol is C/C(=C\CO)CCO.
What is the InChIKey of (E)-3-methylpent-2-ene-1,5-diol?
The InChIKey is TWUDHDJKTHYMGY-QHHAFSJGSA-N. The full InChI is InChI=1S/C6H12O2/c1-6(2-4-7)3-5-8/h2,7-8H,3-5H2,1H3/b6-2+.
What are the key properties of (E)-3-methylpent-2-ene-1,5-diol?
(E)-3-methylpent-2-ene-1,5-diol has a molecular weight of 116.16 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methylpent-2-ene-1,5-diol is sourced from PubChem (CID 5362855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).