(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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Related Compounds

(2Z)-4-fluoropenta-2,4-dien-1-ol
CID 147076442
(2E,6E)-4,5-bis[(E)-3-hydroxyprop-1-enyl]octa-2,4,6-triene-1,8-diol
CID 102532219
(2E,3Z)-5-hydroxy-2-(2-hydroxyethylidene)hexa-3,5-dienoic acid
CID 171521730
CID 175978360
CID 175978360
(E)-8-hydroxy-5-methylideneoct-6-en-2-one
CID 15853373
(E)-4-hydroxybut-2-enoate
CID 19770800
(2Z,4E)-4-sulfanylhepta-2,4,6-trien-1-ol
CID 143508047
(2E,4E)-hexa-2,4-diene-1,6-diol
CID 6440316
(2Z,4E)-4-propan-2-ylhexa-2,4-diene-1,5-diol
CID 59007348
(2Z,4E)-4-methoxyhepta-2,4,6-trien-1-ol
CID 89344777
(3Z,5Z,7Z,8Z)-5,7-di(ethylidene)undeca-1,3,8,10-tetraene-2,10-diol
CID 166754770
(213C)octa-2,6-diene-1,8-diol
CID 57064560

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).