(E)-3-hydroxypent-3-enal

C5H8O2 — CID 142089411

IUPAC(E)-3-hydroxypent-3-enal
SMILESC/C=C(/O)CC=O
InChIInChI=1S/C5H8O2/c1-2-5(7)3-4-6/h2,4,7H,3H2,1H3/b5-2+
InChIKeyHTRPTNPXDKEXTO-GORDUTHDSA-N
MW100.12 g/mol
LogP1.04
Rot. Bonds2

About (E)-3-hydroxypent-3-enal

(E)-3-hydroxypent-3-enal (PubChem CID 142089411) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is (E)-3-hydroxypent-3-enal.

Molecular Properties

Compound Name(E)-3-hydroxypent-3-enal
PubChem CID142089411
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name(E)-3-hydroxypent-3-enal
SMILESC/C=C(/O)CC=O
InChIInChI=1S/C5H8O2/c1-2-5(7)3-4-6/h2,4,7H,3H2,1H3/b5-2+
InChIKeyHTRPTNPXDKEXTO-GORDUTHDSA-N
XLogP1.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxydec-3-enal
CID 174452166
3,4-dioxohexanedial
CID 123634764
3-oxopropanoic acid;hydrochloride
CID 172858364
chromium;3-oxobutanal
CID 174605228
λ2-plumbane;3-oxobutanal
CID 173391243
(2E)-2-(hydroxymethylidene)-4-oxobutanoic acid
CID 102013932
ethane;(E,3Z)-3-ethylidene-4-(methylamino)hex-4-enal
CID 143963041
3-oxohept-5-ynal
CID 23528812
CID 88705045
CID 88705045
(E)-5-hydroxy-3-methylpent-3-enal
CID 88818950
acetaldehyde;methanol
CID 19366238
acetic acid;2-methylbut-2-ene
CID 155128325

Frequently Asked Questions

What is the IUPAC name of (E)-3-hydroxypent-3-enal?
The IUPAC name of (E)-3-hydroxypent-3-enal (CID 142089411) is (E)-3-hydroxypent-3-enal.
What is the SMILES notation for (E)-3-hydroxypent-3-enal?
The canonical SMILES for (E)-3-hydroxypent-3-enal is C/C=C(/O)CC=O.
What is the InChIKey of (E)-3-hydroxypent-3-enal?
The InChIKey is HTRPTNPXDKEXTO-GORDUTHDSA-N. The full InChI is InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h2,4,7H,3H2,1H3/b5-2+.
What are the key properties of (E)-3-hydroxypent-3-enal?
(E)-3-hydroxypent-3-enal has a molecular weight of 100.12 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-hydroxypent-3-enal is sourced from PubChem (CID 142089411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).