oct-3-ene-2,5-diol

C8H16O2 — CID 54416770

IUPACoct-3-ene-2,5-diol
SMILESCCCC(O)C=CC(C)O
InChIInChI=1S/C8H16O2/c1-3-4-8(10)6-5-7(2)9/h5-10H,3-4H2,1-2H3
InChIKeyVXZSZANXFXGDCW-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.08
Rot. Bonds4

About oct-3-ene-2,5-diol

oct-3-ene-2,5-diol (PubChem CID 54416770) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is oct-3-ene-2,5-diol.

Molecular Properties

Compound Nameoct-3-ene-2,5-diol
PubChem CID54416770
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Nameoct-3-ene-2,5-diol
SMILESCCCC(O)C=CC(C)O
InChIInChI=1S/C8H16O2/c1-3-4-8(10)6-5-7(2)9/h5-10H,3-4H2,1-2H3
InChIKeyVXZSZANXFXGDCW-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
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 oct-3-ene-2,5-diol?
The IUPAC name of oct-3-ene-2,5-diol (CID 54416770) is oct-3-ene-2,5-diol.
What is the SMILES notation for oct-3-ene-2,5-diol?
The canonical SMILES for oct-3-ene-2,5-diol is CCCC(O)C=CC(C)O.
What is the InChIKey of oct-3-ene-2,5-diol?
The InChIKey is VXZSZANXFXGDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-4-8(10)6-5-7(2)9/h5-10H,3-4H2,1-2H3.
What are the key properties of oct-3-ene-2,5-diol?
oct-3-ene-2,5-diol has a molecular weight of 144.21 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oct-3-ene-2,5-diol is sourced from PubChem (CID 54416770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).