acetic acid;(Z)-4-hydroxypent-3-en-2-one;molecular oxygen;2-oxopropanal;pentane-2,4-dione

C15H24O10 — CID 158600296

IUPACacetic acid;(Z)-4-hydroxypent-3-en-2-one;molecular oxygen;2-oxopropanal;pentane-2,4-dione
SMILESCC(=O)/C=C(/C)O.CC(=O)C=O.CC(=O)CC(C)=O.CC(=O)O.O=O
InChIInChI=1S/2C5H8O2.C3H4O2.C2H4O2.O2/c2*1-4(6)3-5(2)7;1-3(5)2-4;1-2(3)4;1-2/h3H2,1-2H3;3,6H,1-2H3;2H,1H3;1H3,(H,3,4);/b;4-3-;;;
InChIKeyFSGGJBACTXDOML-BXRJXUPASA-N
MW364.35 g/mol
LogP1.52
Rot. Bonds4

About acetic acid;(Z)-4-hydroxypent-3-en-2-one;molecular oxygen;2-oxopropanal;pentane-2,4-dione

acetic acid;(Z)-4-hydroxypent-3-en-2-one;molecular oxygen;2-oxopropanal;pentane-2,4-dione (PubChem CID 158600296) has the molecular formula C15H24O10 and a molecular weight of 364.35 g/mol. Its IUPAC name is acetic acid;(Z)-4-hydroxypent-3-en-2-one;molecular oxygen;2-oxopropanal;pentane-2,4-dione.

Molecular Properties

Compound Nameacetic acid;(Z)-4-hydroxypent-3-en-2-one;molecular oxygen;2-oxopropanal;pentane-2,4-dione
PubChem CID158600296
Molecular FormulaC15H24O10
Molecular Weight364.35 g/mol
Exact Mass364.14
IUPAC Nameacetic acid;(Z)-4-hydroxypent-3-en-2-one;molecular oxygen;2-oxopropanal;pentane-2,4-dione
SMILESCC(=O)/C=C(/C)O.CC(=O)C=O.CC(=O)CC(C)=O.CC(=O)O.O=O
InChIInChI=1S/2C5H8O2.C3H4O2.C2H4O2.O2/c2*1-4(6)3-5(2)7;1-3(5)2-4;1-2(3)4;1-2/h3H2,1-2H3;3,6H,1-2H3;2H,1H3;1H3,(H,3,4);/b;4-3-;;;
InChIKeyFSGGJBACTXDOML-BXRJXUPASA-N
XLogP1.52
TPSA177.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

pentakis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;iron
CID 176885193
hafnium;tetrakis((E)-4-hydroxypent-3-en-2-one)
CID 53393529
tris(4-hydroxypent-3-en-2-one);thulium
CID 175647568
hafnium;tetrakis((Z)-4-hydroxypent-3-en-2-one)
CID 11330624
tris((Z)-4-hydroxypent-3-en-2-one);ruthenium
CID 5364023
cobalt;tris((E)-4-hydroxypent-3-en-2-one)
CID 11100361
bis((Z)-4-hydroxypent-3-en-2-one);rhodium
CID 11358512
CID 6826582
CID 6826582
CID 10892468
CID 10892468
4-hydroxypent-3-en-2-one;titanium
CID 162678859
tris((Z)-4-hydroxypent-3-en-2-one);manganese(3+)
CID 6477710
bis((Z)-4-hydroxypent-3-en-2-one);nickel
CID 5359853

Frequently Asked Questions

What is the IUPAC name of acetic acid;(Z)-4-hydroxypent-3-en-2-one;molecular oxygen;2-oxopropanal;pentane-2,4-dione?
The IUPAC name of acetic acid;(Z)-4-hydroxypent-3-en-2-one;molecular oxygen;2-oxopropanal;pentane-2,4-dione (CID 158600296) is acetic acid;(Z)-4-hydroxypent-3-en-2-one;molecular oxygen;2-oxopropanal;pentane-2,4-dione.
What is the SMILES notation for acetic acid;(Z)-4-hydroxypent-3-en-2-one;molecular oxygen;2-oxopropanal;pentane-2,4-dione?
The canonical SMILES for acetic acid;(Z)-4-hydroxypent-3-en-2-one;molecular oxygen;2-oxopropanal;pentane-2,4-dione is CC(=O)/C=C(/C)O.CC(=O)C=O.CC(=O)CC(C)=O.CC(=O)O.O=O.
What is the InChIKey of acetic acid;(Z)-4-hydroxypent-3-en-2-one;molecular oxygen;2-oxopropanal;pentane-2,4-dione?
The InChIKey is FSGGJBACTXDOML-BXRJXUPASA-N. The full InChI is InChI=1S/2C5H8O2.C3H4O2.C2H4O2.O2/c2*1-4(6)3-5(2)7;1-3(5)2-4;1-2(3)4;1-2/h3H2,1-2H3;3,6H,1-2H3;2H,1H3;1H3,(H,3,4);/b;4-3-;;;.
What are the key properties of acetic acid;(Z)-4-hydroxypent-3-en-2-one;molecular oxygen;2-oxopropanal;pentane-2,4-dione?
acetic acid;(Z)-4-hydroxypent-3-en-2-one;molecular oxygen;2-oxopropanal;pentane-2,4-dione has a molecular weight of 364.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(Z)-4-hydroxypent-3-en-2-one;molecular oxygen;2-oxopropanal;pentane-2,4-dione is sourced from PubChem (CID 158600296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).