(Z)-4-hydroxypent-3-en-2-one;pentane-2,4-dione

C10H16O4 — CID 88642678

IUPAC(Z)-4-hydroxypent-3-en-2-one;pentane-2,4-dione
SMILESCC(=O)/C=C(/C)O.CC(=O)CC(C)=O
InChIInChI=1S/2C5H8O2/c2*1-4(6)3-5(2)7/h3H2,1-2H3;3,6H,1-2H3/b;4-3-
InChIKeyARUPPSQANYUOCW-QGAMPUOQSA-N
MW200.23 g/mol
LogP1.59
Rot. Bonds3

About (Z)-4-hydroxypent-3-en-2-one;pentane-2,4-dione

(Z)-4-hydroxypent-3-en-2-one;pentane-2,4-dione (PubChem CID 88642678) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (Z)-4-hydroxypent-3-en-2-one;pentane-2,4-dione.

Molecular Properties

Compound Name(Z)-4-hydroxypent-3-en-2-one;pentane-2,4-dione
PubChem CID88642678
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(Z)-4-hydroxypent-3-en-2-one;pentane-2,4-dione
SMILESCC(=O)/C=C(/C)O.CC(=O)CC(C)=O
InChIInChI=1S/2C5H8O2/c2*1-4(6)3-5(2)7/h3H2,1-2H3;3,6H,1-2H3/b;4-3-
InChIKeyARUPPSQANYUOCW-QGAMPUOQSA-N
XLogP1.59
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxypent-3-en-2-one;pentane-2,4-dione?
The IUPAC name of (Z)-4-hydroxypent-3-en-2-one;pentane-2,4-dione (CID 88642678) is (Z)-4-hydroxypent-3-en-2-one;pentane-2,4-dione.
What is the SMILES notation for (Z)-4-hydroxypent-3-en-2-one;pentane-2,4-dione?
The canonical SMILES for (Z)-4-hydroxypent-3-en-2-one;pentane-2,4-dione is CC(=O)/C=C(/C)O.CC(=O)CC(C)=O.
What is the InChIKey of (Z)-4-hydroxypent-3-en-2-one;pentane-2,4-dione?
The InChIKey is ARUPPSQANYUOCW-QGAMPUOQSA-N. The full InChI is InChI=1S/2C5H8O2/c2*1-4(6)3-5(2)7/h3H2,1-2H3;3,6H,1-2H3/b;4-3-.
What are the key properties of (Z)-4-hydroxypent-3-en-2-one;pentane-2,4-dione?
(Z)-4-hydroxypent-3-en-2-one;pentane-2,4-dione has a molecular weight of 200.23 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxypent-3-en-2-one;pentane-2,4-dione is sourced from PubChem (CID 88642678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).