(2E)-penta-2,4-diene-1,4-diol

C5H8O2 — CID 87933185

IUPAC(2E)-penta-2,4-diene-1,4-diol
SMILESC=C(O)/C=C/CO
InChIInChI=1S/C5H8O2/c1-5(7)3-2-4-6/h2-3,6-7H,1,4H2/b3-2+
InChIKeyOMNUJUJYJXOIRM-NSCUHMNNSA-N
MW100.12 g/mol
LogP0.61
Rot. Bonds2

About (2E)-penta-2,4-diene-1,4-diol

(2E)-penta-2,4-diene-1,4-diol (PubChem CID 87933185) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is (2E)-penta-2,4-diene-1,4-diol.

Molecular Properties

Compound Name(2E)-penta-2,4-diene-1,4-diol
PubChem CID87933185
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name(2E)-penta-2,4-diene-1,4-diol
SMILESC=C(O)/C=C/CO
InChIInChI=1S/C5H8O2/c1-5(7)3-2-4-6/h2-3,6-7H,1,4H2/b3-2+
InChIKeyOMNUJUJYJXOIRM-NSCUHMNNSA-N
XLogP0.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-penta-2,4-diene-1,4-diol?
The IUPAC name of (2E)-penta-2,4-diene-1,4-diol (CID 87933185) is (2E)-penta-2,4-diene-1,4-diol.
What is the SMILES notation for (2E)-penta-2,4-diene-1,4-diol?
The canonical SMILES for (2E)-penta-2,4-diene-1,4-diol is C=C(O)/C=C/CO.
What is the InChIKey of (2E)-penta-2,4-diene-1,4-diol?
The InChIKey is OMNUJUJYJXOIRM-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h2-3,6-7H,1,4H2/b3-2+.
What are the key properties of (2E)-penta-2,4-diene-1,4-diol?
(2E)-penta-2,4-diene-1,4-diol has a molecular weight of 100.12 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-penta-2,4-diene-1,4-diol is sourced from PubChem (CID 87933185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).