copper;heptadec-2-enoic acid

C17H32CuO2 — CID 174878538

IUPACcopper;heptadec-2-enoic acid
SMILESCCCCCCCCCCCCCCC=CC(=O)O.[Cu]
InChIInChI=1S/C17H32O2.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h15-16H,2-14H2,1H3,(H,18,19);
InChIKeyBWHNMVMMCCMZJH-UHFFFAOYSA-N
MW331.99 g/mol
LogP5.72
Rot. Bonds14

About copper;heptadec-2-enoic acid

copper;heptadec-2-enoic acid (PubChem CID 174878538) has the molecular formula C17H32CuO2 and a molecular weight of 331.99 g/mol. Its IUPAC name is copper;heptadec-2-enoic acid.

Molecular Properties

Compound Namecopper;heptadec-2-enoic acid
PubChem CID174878538
Molecular FormulaC17H32CuO2
Molecular Weight331.99 g/mol
Exact Mass331.17
IUPAC Namecopper;heptadec-2-enoic acid
SMILESCCCCCCCCCCCCCCC=CC(=O)O.[Cu]
InChIInChI=1S/C17H32O2.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h15-16H,2-14H2,1H3,(H,18,19);
InChIKeyBWHNMVMMCCMZJH-UHFFFAOYSA-N
XLogP5.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.99
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

undec-2-enoic acid
CID 519180
icosa-2,11-dienoic acid
CID 54537818
bis(heptadec-2-enoic acid);zinc
CID 172555643
icosa-2,12-dienoic acid
CID 174301675
octadec-2-enoic acid;hydrochloride
CID 175477245
alumane;hexadec-2-enoic acid
CID 174818671
(Z)-oct-2-enoic acid
CID 5282713
iron;(E)-oct-2-enoic acid
CID 89456364
(E)-oct-2-enoic acid;zirconium
CID 89456417
octadeca-2,11,13-trienoic acid
CID 173322272
(2E,4E)-icosa-2,4-dienoic acid
CID 11483665
(2E,4E)-tetracosa-2,4-dienoic acid
CID 19784025

Frequently Asked Questions

What is the IUPAC name of copper;heptadec-2-enoic acid?
The IUPAC name of copper;heptadec-2-enoic acid (CID 174878538) is copper;heptadec-2-enoic acid.
What is the SMILES notation for copper;heptadec-2-enoic acid?
The canonical SMILES for copper;heptadec-2-enoic acid is CCCCCCCCCCCCCCC=CC(=O)O.[Cu].
What is the InChIKey of copper;heptadec-2-enoic acid?
The InChIKey is BWHNMVMMCCMZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h15-16H,2-14H2,1H3,(H,18,19);.
What are the key properties of copper;heptadec-2-enoic acid?
copper;heptadec-2-enoic acid has a molecular weight of 331.99 g/mol, XLogP of 5.72, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper;heptadec-2-enoic acid is sourced from PubChem (CID 174878538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).