copper;(Z)-6-ethyl-3-hydroxy-2,2-dimethyldec-3-en-5-one

C14H26CuO2 — CID 23594319

IUPACcopper;(Z)-6-ethyl-3-hydroxy-2,2-dimethyldec-3-en-5-one
SMILESCCCCC(CC)C(=O)/C=C(\O)C(C)(C)C.[Cu]
InChIInChI=1S/C14H26O2.Cu/c1-6-8-9-11(7-2)12(15)10-13(16)14(3,4)5;/h10-11,16H,6-9H2,1-5H3;/b13-10-;
InChIKeyJGTLVQIRDFBHHX-ALUHPYBCSA-N
MW289.91 g/mol
LogP4.26
Rot. Bonds6

About copper;(Z)-6-ethyl-3-hydroxy-2,2-dimethyldec-3-en-5-one

copper;(Z)-6-ethyl-3-hydroxy-2,2-dimethyldec-3-en-5-one (PubChem CID 23594319) has the molecular formula C14H26CuO2 and a molecular weight of 289.91 g/mol. Its IUPAC name is copper;(Z)-6-ethyl-3-hydroxy-2,2-dimethyldec-3-en-5-one.

Molecular Properties

Compound Namecopper;(Z)-6-ethyl-3-hydroxy-2,2-dimethyldec-3-en-5-one
PubChem CID23594319
Molecular FormulaC14H26CuO2
Molecular Weight289.91 g/mol
Exact Mass289.12
IUPAC Namecopper;(Z)-6-ethyl-3-hydroxy-2,2-dimethyldec-3-en-5-one
SMILESCCCCC(CC)C(=O)/C=C(\O)C(C)(C)C.[Cu]
InChIInChI=1S/C14H26O2.Cu/c1-6-8-9-11(7-2)12(15)10-13(16)14(3,4)5;/h10-11,16H,6-9H2,1-5H3;/b13-10-;
InChIKeyJGTLVQIRDFBHHX-ALUHPYBCSA-N
XLogP4.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.91
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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;(Z)-6-ethyl-3-hydroxy-2,2-dimethyldec-3-en-5-one?
The IUPAC name of copper;(Z)-6-ethyl-3-hydroxy-2,2-dimethyldec-3-en-5-one (CID 23594319) is copper;(Z)-6-ethyl-3-hydroxy-2,2-dimethyldec-3-en-5-one.
What is the SMILES notation for copper;(Z)-6-ethyl-3-hydroxy-2,2-dimethyldec-3-en-5-one?
The canonical SMILES for copper;(Z)-6-ethyl-3-hydroxy-2,2-dimethyldec-3-en-5-one is CCCCC(CC)C(=O)/C=C(\O)C(C)(C)C.[Cu].
What is the InChIKey of copper;(Z)-6-ethyl-3-hydroxy-2,2-dimethyldec-3-en-5-one?
The InChIKey is JGTLVQIRDFBHHX-ALUHPYBCSA-N. The full InChI is InChI=1S/C14H26O2.Cu/c1-6-8-9-11(7-2)12(15)10-13(16)14(3,4)5;/h10-11,16H,6-9H2,1-5H3;/b13-10-;.
What are the key properties of copper;(Z)-6-ethyl-3-hydroxy-2,2-dimethyldec-3-en-5-one?
copper;(Z)-6-ethyl-3-hydroxy-2,2-dimethyldec-3-en-5-one has a molecular weight of 289.91 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(Z)-6-ethyl-3-hydroxy-2,2-dimethyldec-3-en-5-one is sourced from PubChem (CID 23594319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).