(Z)-oct-5-ene-1,3-diol

C8H16O2 — CID 21159437

IUPAC(Z)-oct-5-ene-1,3-diol
SMILESCC/C=C\CC(O)CCO
InChIInChI=1S/C8H16O2/c1-2-3-4-5-8(10)6-7-9/h3-4,8-10H,2,5-7H2,1H3/b4-3-
InChIKeyQTHIKVMVWXLPKQ-ARJAWSKDSA-N
MW144.21 g/mol
LogP1.09
Rot. Bonds5

About (Z)-oct-5-ene-1,3-diol

(Z)-oct-5-ene-1,3-diol (PubChem CID 21159437) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (Z)-oct-5-ene-1,3-diol.

Molecular Properties

Compound Name(Z)-oct-5-ene-1,3-diol
PubChem CID21159437
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(Z)-oct-5-ene-1,3-diol
SMILESCC/C=C\CC(O)CCO
InChIInChI=1S/C8H16O2/c1-2-3-4-5-8(10)6-7-9/h3-4,8-10H,2,5-7H2,1H3/b4-3-
InChIKeyQTHIKVMVWXLPKQ-ARJAWSKDSA-N
XLogP1.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-oct-5-ene-1,3-diol?
The IUPAC name of (Z)-oct-5-ene-1,3-diol (CID 21159437) is (Z)-oct-5-ene-1,3-diol.
What is the SMILES notation for (Z)-oct-5-ene-1,3-diol?
The canonical SMILES for (Z)-oct-5-ene-1,3-diol is CC/C=C\CC(O)CCO.
What is the InChIKey of (Z)-oct-5-ene-1,3-diol?
The InChIKey is QTHIKVMVWXLPKQ-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H16O2/c1-2-3-4-5-8(10)6-7-9/h3-4,8-10H,2,5-7H2,1H3/b4-3-.
What are the key properties of (Z)-oct-5-ene-1,3-diol?
(Z)-oct-5-ene-1,3-diol has a molecular weight of 144.21 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-oct-5-ene-1,3-diol is sourced from PubChem (CID 21159437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).