copper(1+);octadecanoate;prop-2-enoate

C21H38CuO4- — CID 22987501

IUPACcopper(1+);octadecanoate;prop-2-enoate
SMILESC=CC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Cu+]
InChIInChI=1S/C18H36O2.C3H4O2.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3(4)5;/h2-17H2,1H3,(H,19,20);2H,1H2,(H,4,5);/q;;+1/p-2
InChIKeyHPTCYCZERSGGSI-UHFFFAOYSA-L
MW418.08 g/mol
LogP3.92
Rot. Bonds17

About copper(1+);octadecanoate;prop-2-enoate

copper(1+);octadecanoate;prop-2-enoate (PubChem CID 22987501) has the molecular formula C21H38CuO4- and a molecular weight of 418.08 g/mol. Its IUPAC name is copper(1+);octadecanoate;prop-2-enoate.

Molecular Properties

Compound Namecopper(1+);octadecanoate;prop-2-enoate
PubChem CID22987501
Molecular FormulaC21H38CuO4-
Molecular Weight418.08 g/mol
Exact Mass417.21
IUPAC Namecopper(1+);octadecanoate;prop-2-enoate
SMILESC=CC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Cu+]
InChIInChI=1S/C18H36O2.C3H4O2.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3(4)5;/h2-17H2,1H3,(H,19,20);2H,1H2,(H,4,5);/q;;+1/p-2
InChIKeyHPTCYCZERSGGSI-UHFFFAOYSA-L
XLogP3.92
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.08
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 22987518
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CID 23623890
CID 23623890
octadecanoate
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bis(octadecanoate);platinum(2+)
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calcium;hexadecanoate;octadecanoate
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CID 18995554

Frequently Asked Questions

What is the IUPAC name of copper(1+);octadecanoate;prop-2-enoate?
The IUPAC name of copper(1+);octadecanoate;prop-2-enoate (CID 22987501) is copper(1+);octadecanoate;prop-2-enoate.
What is the SMILES notation for copper(1+);octadecanoate;prop-2-enoate?
The canonical SMILES for copper(1+);octadecanoate;prop-2-enoate is C=CC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Cu+].
What is the InChIKey of copper(1+);octadecanoate;prop-2-enoate?
The InChIKey is HPTCYCZERSGGSI-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H36O2.C3H4O2.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3(4)5;/h2-17H2,1H3,(H,19,20);2H,1H2,(H,4,5);/q;;+1/p-2.
What are the key properties of copper(1+);octadecanoate;prop-2-enoate?
copper(1+);octadecanoate;prop-2-enoate has a molecular weight of 418.08 g/mol, XLogP of 3.92, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);octadecanoate;prop-2-enoate is sourced from PubChem (CID 22987501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).