(3S,5S)-5-ethyloct-7-ene-3,5-diol

C10H20O2 — CID 101385054

IUPAC(3S,5S)-5-ethyloct-7-ene-3,5-diol
SMILESC=CC[C@@](O)(CC)C[C@@H](O)CC
InChIInChI=1S/C10H20O2/c1-4-7-10(12,6-3)8-9(11)5-2/h4,9,11-12H,1,5-8H2,2-3H3/t9-,10-/m0/s1
InChIKeyZHKLKNVFCUHVFB-UWVGGRQHSA-N
MW172.27 g/mol
LogP1.86
Rot. Bonds6

About (3S,5S)-5-ethyloct-7-ene-3,5-diol

(3S,5S)-5-ethyloct-7-ene-3,5-diol (PubChem CID 101385054) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (3S,5S)-5-ethyloct-7-ene-3,5-diol.

Molecular Properties

Compound Name(3S,5S)-5-ethyloct-7-ene-3,5-diol
PubChem CID101385054
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(3S,5S)-5-ethyloct-7-ene-3,5-diol
SMILESC=CC[C@@](O)(CC)C[C@@H](O)CC
InChIInChI=1S/C10H20O2/c1-4-7-10(12,6-3)8-9(11)5-2/h4,9,11-12H,1,5-8H2,2-3H3/t9-,10-/m0/s1
InChIKeyZHKLKNVFCUHVFB-UWVGGRQHSA-N
XLogP1.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S,5S)-5-ethyloct-7-ene-3,5-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 (3S,5S)-5-ethyloct-7-ene-3,5-diol?
The IUPAC name of (3S,5S)-5-ethyloct-7-ene-3,5-diol (CID 101385054) is (3S,5S)-5-ethyloct-7-ene-3,5-diol.
What is the SMILES notation for (3S,5S)-5-ethyloct-7-ene-3,5-diol?
The canonical SMILES for (3S,5S)-5-ethyloct-7-ene-3,5-diol is C=CC[C@@](O)(CC)C[C@@H](O)CC.
What is the InChIKey of (3S,5S)-5-ethyloct-7-ene-3,5-diol?
The InChIKey is ZHKLKNVFCUHVFB-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-7-10(12,6-3)8-9(11)5-2/h4,9,11-12H,1,5-8H2,2-3H3/t9-,10-/m0/s1.
What are the key properties of (3S,5S)-5-ethyloct-7-ene-3,5-diol?
(3S,5S)-5-ethyloct-7-ene-3,5-diol has a molecular weight of 172.27 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-ethyloct-7-ene-3,5-diol is sourced from PubChem (CID 101385054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).