(Z)-7-hydroxy-4-oxohept-2-enoic acid

C7H10O4 — CID 158566518

IUPAC(Z)-7-hydroxy-4-oxohept-2-enoic acid
SMILESO=C(O)/C=C\C(=O)CCCO
InChIInChI=1S/C7H10O4/c8-5-1-2-6(9)3-4-7(10)11/h3-4,8H,1-2,5H2,(H,10,11)/b4-3-
InChIKeyXROCGPFYGZWZEB-ARJAWSKDSA-N
MW158.15 g/mol
LogP-0.03
Rot. Bonds5

About (Z)-7-hydroxy-4-oxohept-2-enoic acid

(Z)-7-hydroxy-4-oxohept-2-enoic acid (PubChem CID 158566518) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is (Z)-7-hydroxy-4-oxohept-2-enoic acid.

Molecular Properties

Compound Name(Z)-7-hydroxy-4-oxohept-2-enoic acid
PubChem CID158566518
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name(Z)-7-hydroxy-4-oxohept-2-enoic acid
SMILESO=C(O)/C=C\C(=O)CCCO
InChIInChI=1S/C7H10O4/c8-5-1-2-6(9)3-4-7(10)11/h3-4,8H,1-2,5H2,(H,10,11)/b4-3-
InChIKeyXROCGPFYGZWZEB-ARJAWSKDSA-N
XLogP-0.03
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-but-2-enedioic acid;decane-1,10-diol
CID 175360158
tris(but-2-enedioic acid);ethane-1,2-diol
CID 158068742
tetrakis((Z)-but-2-enedioic acid);ethane-1,2-diol
CID 175057251
(Z)-but-2-enedioic acid;hexanedioic acid
CID 87949231
13-(nonylamino)-4-oxotridec-2-enoic acid
CID 140957644
4-(4-hydroxybutoxy)-4-oxobut-2-enoic acid
CID 54424578
(Z)-but-2-enedioic acid;4-hydroxybutane-1-sulfonic acid
CID 174906570
(E)-5-amino-4-oxopent-2-enoic acid
CID 23437125
butanedioic acid;bis(but-2-enedioic acid);hexanedioic acid
CID 172744714
acetic acid;4-hydroxybutanoic acid
CID 173284712
but-2-enoic acid;octane-1,8-diol
CID 175483633
(E)-7-amino-4-oxooct-2-enedioic acid
CID 88902082

Frequently Asked Questions

What is the IUPAC name of (Z)-7-hydroxy-4-oxohept-2-enoic acid?
The IUPAC name of (Z)-7-hydroxy-4-oxohept-2-enoic acid (CID 158566518) is (Z)-7-hydroxy-4-oxohept-2-enoic acid.
What is the SMILES notation for (Z)-7-hydroxy-4-oxohept-2-enoic acid?
The canonical SMILES for (Z)-7-hydroxy-4-oxohept-2-enoic acid is O=C(O)/C=C\C(=O)CCCO.
What is the InChIKey of (Z)-7-hydroxy-4-oxohept-2-enoic acid?
The InChIKey is XROCGPFYGZWZEB-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H10O4/c8-5-1-2-6(9)3-4-7(10)11/h3-4,8H,1-2,5H2,(H,10,11)/b4-3-.
What are the key properties of (Z)-7-hydroxy-4-oxohept-2-enoic acid?
(Z)-7-hydroxy-4-oxohept-2-enoic acid has a molecular weight of 158.15 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-hydroxy-4-oxohept-2-enoic acid is sourced from PubChem (CID 158566518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).