3-ethylhepta-5,6-dien-3-ol

C9H16O — CID 57225995

IUPAC3-ethylhepta-5,6-dien-3-ol
SMILESC=C=CCC(O)(CC)CC
InChIInChI=1S/C9H16O/c1-4-7-8-9(10,5-2)6-3/h7,10H,1,5-6,8H2,2-3H3
InChIKeySZHMCFSSBZXSGV-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.27
Rot. Bonds4

About 3-ethylhepta-5,6-dien-3-ol

3-ethylhepta-5,6-dien-3-ol (PubChem CID 57225995) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-ethylhepta-5,6-dien-3-ol.

Molecular Properties

Compound Name3-ethylhepta-5,6-dien-3-ol
PubChem CID57225995
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3-ethylhepta-5,6-dien-3-ol
SMILESC=C=CCC(O)(CC)CC
InChIInChI=1S/C9H16O/c1-4-7-8-9(10,5-2)6-3/h7,10H,1,5-6,8H2,2-3H3
InChIKeySZHMCFSSBZXSGV-UHFFFAOYSA-N
XLogP2.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-ethylhepta-5,6-dien-3-ol 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-ethylhepta-5,6-dien-3-ol?
The IUPAC name of 3-ethylhepta-5,6-dien-3-ol (CID 57225995) is 3-ethylhepta-5,6-dien-3-ol.
What is the SMILES notation for 3-ethylhepta-5,6-dien-3-ol?
The canonical SMILES for 3-ethylhepta-5,6-dien-3-ol is C=C=CCC(O)(CC)CC.
What is the InChIKey of 3-ethylhepta-5,6-dien-3-ol?
The InChIKey is SZHMCFSSBZXSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-4-7-8-9(10,5-2)6-3/h7,10H,1,5-6,8H2,2-3H3.
What are the key properties of 3-ethylhepta-5,6-dien-3-ol?
3-ethylhepta-5,6-dien-3-ol has a molecular weight of 140.23 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylhepta-5,6-dien-3-ol is sourced from PubChem (CID 57225995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).