copper;methyl (Z)-3-hydroxypent-2-enoate

C6H10CuO3 — CID 58773954

IUPACcopper;methyl (Z)-3-hydroxypent-2-enoate
SMILESCC/C(O)=C/C(=O)OC.[Cu]
InChIInChI=1S/C6H10O3.Cu/c1-3-5(7)4-6(8)9-2;/h4,7H,3H2,1-2H3;/b5-4-;
InChIKeyWPHGUPNBPJNMLU-MKWAYWHRSA-N
MW193.69 g/mol
LogP1.01
Rot. Bonds2

About copper;methyl (Z)-3-hydroxypent-2-enoate

copper;methyl (Z)-3-hydroxypent-2-enoate (PubChem CID 58773954) has the molecular formula C6H10CuO3 and a molecular weight of 193.69 g/mol. Its IUPAC name is copper;methyl (Z)-3-hydroxypent-2-enoate.

Molecular Properties

Compound Namecopper;methyl (Z)-3-hydroxypent-2-enoate
PubChem CID58773954
Molecular FormulaC6H10CuO3
Molecular Weight193.69 g/mol
Exact Mass192.99
IUPAC Namecopper;methyl (Z)-3-hydroxypent-2-enoate
SMILESCC/C(O)=C/C(=O)OC.[Cu]
InChIInChI=1S/C6H10O3.Cu/c1-3-5(7)4-6(8)9-2;/h4,7H,3H2,1-2H3;/b5-4-;
InChIKeyWPHGUPNBPJNMLU-MKWAYWHRSA-N
XLogP1.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.69
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;methyl (Z)-3-hydroxypent-2-enoate?
The IUPAC name of copper;methyl (Z)-3-hydroxypent-2-enoate (CID 58773954) is copper;methyl (Z)-3-hydroxypent-2-enoate.
What is the SMILES notation for copper;methyl (Z)-3-hydroxypent-2-enoate?
The canonical SMILES for copper;methyl (Z)-3-hydroxypent-2-enoate is CC/C(O)=C/C(=O)OC.[Cu].
What is the InChIKey of copper;methyl (Z)-3-hydroxypent-2-enoate?
The InChIKey is WPHGUPNBPJNMLU-MKWAYWHRSA-N. The full InChI is InChI=1S/C6H10O3.Cu/c1-3-5(7)4-6(8)9-2;/h4,7H,3H2,1-2H3;/b5-4-;.
What are the key properties of copper;methyl (Z)-3-hydroxypent-2-enoate?
copper;methyl (Z)-3-hydroxypent-2-enoate has a molecular weight of 193.69 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;methyl (Z)-3-hydroxypent-2-enoate is sourced from PubChem (CID 58773954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).