3-methylhept-6-ene-2,4-diol

C8H16O2 — CID 66895376

IUPAC3-methylhept-6-ene-2,4-diol
SMILESC=CCC(O)C(C)C(C)O
InChIInChI=1S/C8H16O2/c1-4-5-8(10)6(2)7(3)9/h4,6-10H,1,5H2,2-3H3
InChIKeyPXLIKJWCKRJMIH-UHFFFAOYSA-N
MW144.21 g/mol
LogP0.94
Rot. Bonds4

About 3-methylhept-6-ene-2,4-diol

3-methylhept-6-ene-2,4-diol (PubChem CID 66895376) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-methylhept-6-ene-2,4-diol.

Molecular Properties

Compound Name3-methylhept-6-ene-2,4-diol
PubChem CID66895376
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-methylhept-6-ene-2,4-diol
SMILESC=CCC(O)C(C)C(C)O
InChIInChI=1S/C8H16O2/c1-4-5-8(10)6(2)7(3)9/h4,6-10H,1,5H2,2-3H3
InChIKeyPXLIKJWCKRJMIH-UHFFFAOYSA-N
XLogP0.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methylhept-6-ene-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-methylhept-6-ene-2,4-diol?
The IUPAC name of 3-methylhept-6-ene-2,4-diol (CID 66895376) is 3-methylhept-6-ene-2,4-diol.
What is the SMILES notation for 3-methylhept-6-ene-2,4-diol?
The canonical SMILES for 3-methylhept-6-ene-2,4-diol is C=CCC(O)C(C)C(C)O.
What is the InChIKey of 3-methylhept-6-ene-2,4-diol?
The InChIKey is PXLIKJWCKRJMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-5-8(10)6(2)7(3)9/h4,6-10H,1,5H2,2-3H3.
What are the key properties of 3-methylhept-6-ene-2,4-diol?
3-methylhept-6-ene-2,4-diol has a molecular weight of 144.21 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylhept-6-ene-2,4-diol is sourced from PubChem (CID 66895376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).