(2E,4E)-octa-2,4-diene-1,6,7-triol

C8H14O3 — CID 139591691

IUPAC(2E,4E)-octa-2,4-diene-1,6,7-triol
SMILESCC(O)C(O)/C=C/C=C/CO
InChIInChI=1S/C8H14O3/c1-7(10)8(11)5-3-2-4-6-9/h2-5,7-11H,6H2,1H3/b4-2+,5-3+
InChIKeyLSPIBEIDSFWFRY-ZUVMSYQZSA-N
MW158.20 g/mol
LogP-0.17
Rot. Bonds4

About (2E,4E)-octa-2,4-diene-1,6,7-triol

(2E,4E)-octa-2,4-diene-1,6,7-triol (PubChem CID 139591691) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2E,4E)-octa-2,4-diene-1,6,7-triol.

Molecular Properties

Compound Name(2E,4E)-octa-2,4-diene-1,6,7-triol
PubChem CID139591691
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(2E,4E)-octa-2,4-diene-1,6,7-triol
SMILESCC(O)C(O)/C=C/C=C/CO
InChIInChI=1S/C8H14O3/c1-7(10)8(11)5-3-2-4-6-9/h2-5,7-11H,6H2,1H3/b4-2+,5-3+
InChIKeyLSPIBEIDSFWFRY-ZUVMSYQZSA-N
XLogP-0.17
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-octa-2,4-diene-1,6,7-triol?
The IUPAC name of (2E,4E)-octa-2,4-diene-1,6,7-triol (CID 139591691) is (2E,4E)-octa-2,4-diene-1,6,7-triol.
What is the SMILES notation for (2E,4E)-octa-2,4-diene-1,6,7-triol?
The canonical SMILES for (2E,4E)-octa-2,4-diene-1,6,7-triol is CC(O)C(O)/C=C/C=C/CO.
What is the InChIKey of (2E,4E)-octa-2,4-diene-1,6,7-triol?
The InChIKey is LSPIBEIDSFWFRY-ZUVMSYQZSA-N. The full InChI is InChI=1S/C8H14O3/c1-7(10)8(11)5-3-2-4-6-9/h2-5,7-11H,6H2,1H3/b4-2+,5-3+.
What are the key properties of (2E,4E)-octa-2,4-diene-1,6,7-triol?
(2E,4E)-octa-2,4-diene-1,6,7-triol has a molecular weight of 158.20 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-octa-2,4-diene-1,6,7-triol is sourced from PubChem (CID 139591691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).