3-prop-2-enylhept-5-ene-1,4-diol

C10H18O2 — CID 57190200

IUPAC3-prop-2-enylhept-5-ene-1,4-diol
SMILESC=CCC(CCO)C(O)C=CC
InChIInChI=1S/C10H18O2/c1-3-5-9(7-8-11)10(12)6-4-2/h3-4,6,9-12H,1,5,7-8H2,2H3
InChIKeyXLOLUVNMWJSCTQ-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.50
Rot. Bonds6

About 3-prop-2-enylhept-5-ene-1,4-diol

3-prop-2-enylhept-5-ene-1,4-diol (PubChem CID 57190200) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-prop-2-enylhept-5-ene-1,4-diol.

Molecular Properties

Compound Name3-prop-2-enylhept-5-ene-1,4-diol
PubChem CID57190200
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-prop-2-enylhept-5-ene-1,4-diol
SMILESC=CCC(CCO)C(O)C=CC
InChIInChI=1S/C10H18O2/c1-3-5-9(7-8-11)10(12)6-4-2/h3-4,6,9-12H,1,5,7-8H2,2H3
InChIKeyXLOLUVNMWJSCTQ-UHFFFAOYSA-N
XLogP1.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-prop-2-enylhept-5-ene-1,4-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-prop-2-enylhept-5-ene-1,4-diol?
The IUPAC name of 3-prop-2-enylhept-5-ene-1,4-diol (CID 57190200) is 3-prop-2-enylhept-5-ene-1,4-diol.
What is the SMILES notation for 3-prop-2-enylhept-5-ene-1,4-diol?
The canonical SMILES for 3-prop-2-enylhept-5-ene-1,4-diol is C=CCC(CCO)C(O)C=CC.
What is the InChIKey of 3-prop-2-enylhept-5-ene-1,4-diol?
The InChIKey is XLOLUVNMWJSCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-5-9(7-8-11)10(12)6-4-2/h3-4,6,9-12H,1,5,7-8H2,2H3.
What are the key properties of 3-prop-2-enylhept-5-ene-1,4-diol?
3-prop-2-enylhept-5-ene-1,4-diol has a molecular weight of 170.25 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylhept-5-ene-1,4-diol is sourced from PubChem (CID 57190200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).