penta-2,4-diene-1,2-diol

C5H8O2 — CID 150489968

IUPACpenta-2,4-diene-1,2-diol
SMILESC=CC=C(O)CO
InChIInChI=1S/C5H8O2/c1-2-3-5(7)4-6/h2-3,6-7H,1,4H2
InChIKeyBXGAAMHAECMJDX-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.61
Rot. Bonds2

About penta-2,4-diene-1,2-diol

penta-2,4-diene-1,2-diol (PubChem CID 150489968) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is penta-2,4-diene-1,2-diol.

Molecular Properties

Compound Namepenta-2,4-diene-1,2-diol
PubChem CID150489968
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Namepenta-2,4-diene-1,2-diol
SMILESC=CC=C(O)CO
InChIInChI=1S/C5H8O2/c1-2-3-5(7)4-6/h2-3,6-7H,1,4H2
InChIKeyBXGAAMHAECMJDX-UHFFFAOYSA-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

(3Z)-hepta-1,3-dien-4-ol
CID 23128228
5,5-bis(hydroxymethyl)nona-1,3,6,8-tetraene-4,6-diol
CID 86734209
(2Z)-2-(methylideneamino)penta-2,4-dien-1-ol
CID 143712390
2-prop-2-enylidenebutane-1,3-diol
CID 175263998
ethane;(2E)-2-prop-1-en-2-ylpenta-2,4-dien-1-ol
CID 144981154
buta-1,3-diene;bis(ethane-1,2-diol)
CID 87919637
(1Z)-1-phosphanylbuta-1,3-dien-1-amine
CID 100934666
(2Z,3E)-3-bromo-2-ethylidenehexa-3,5-dien-1-ol;ethane
CID 143124692
2-hydroxyacetic acid;tris(prop-1-ene)
CID 159374774
2-hydroxyacetic acid;prop-1-ene
CID 19035670
(E)-4-methylidenehex-2-ene-1,2-diol
CID 88543439
(2E)-2-butan-2-ylpenta-2,4-dienoic acid
CID 129274160

Frequently Asked Questions

What is the IUPAC name of penta-2,4-diene-1,2-diol?
The IUPAC name of penta-2,4-diene-1,2-diol (CID 150489968) is penta-2,4-diene-1,2-diol.
What is the SMILES notation for penta-2,4-diene-1,2-diol?
The canonical SMILES for penta-2,4-diene-1,2-diol is C=CC=C(O)CO.
What is the InChIKey of penta-2,4-diene-1,2-diol?
The InChIKey is BXGAAMHAECMJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h2-3,6-7H,1,4H2.
What are the key properties of penta-2,4-diene-1,2-diol?
penta-2,4-diene-1,2-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 penta-2,4-diene-1,2-diol is sourced from PubChem (CID 150489968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).