copper;3,5,5-trimethylcyclohex-2-en-1-one

C9H14CuO — CID 159197874

IUPACcopper;3,5,5-trimethylcyclohex-2-en-1-one
SMILESCC1=CC(=O)CC(C)(C)C1.[Cu]
InChIInChI=1S/C9H14O.Cu/c1-7-4-8(10)6-9(2,3)5-7;/h4H,5-6H2,1-3H3;
InChIKeyKOWYJIHOSQLDQA-UHFFFAOYSA-N
MW201.76 g/mol
LogP2.32
Rot. Bonds

About copper;3,5,5-trimethylcyclohex-2-en-1-one

copper;3,5,5-trimethylcyclohex-2-en-1-one (PubChem CID 159197874) has the molecular formula C9H14CuO and a molecular weight of 201.76 g/mol. Its IUPAC name is copper;3,5,5-trimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Namecopper;3,5,5-trimethylcyclohex-2-en-1-one
PubChem CID159197874
Molecular FormulaC9H14CuO
Molecular Weight201.76 g/mol
Exact Mass201.03
IUPAC Namecopper;3,5,5-trimethylcyclohex-2-en-1-one
SMILESCC1=CC(=O)CC(C)(C)C1.[Cu]
InChIInChI=1S/C9H14O.Cu/c1-7-4-8(10)6-9(2,3)5-7;/h4H,5-6H2,1-3H3;
InChIKeyKOWYJIHOSQLDQA-UHFFFAOYSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.76
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 70522560
CID 70522560
sodium;3,5,5-trimethylcyclohex-2-en-1-one;hydroxide
CID 70498993
bis(propan-2-one);3,5,5-trimethylcyclohex-2-en-1-one
CID 19899303
3,5,5-trimethylcyclohex-2-en-1-one;urea
CID 21282221
cyanic acid;3,5,5-trimethylcyclohex-2-en-1-one
CID 146255597
bis(1,1-dimethylurea);3,5,5-trimethylcyclohex-2-en-1-one
CID 126674135
cyanic acid;ethene;3,5,5-trimethylcyclohex-2-en-1-one
CID 175352787
chlorobenzene;3,5,5-trimethylcyclohex-2-en-1-one
CID 67926193
azane;carboxy hydrogen carbonate;3,5,5-trimethylcyclohex-2-en-1-one
CID 175534029
hexanedioic acid;3,5,5-trimethylcyclohex-2-en-1-one
CID 157499044
bis(3,5,5-trimethylcyclohex-2-en-1-one);bis(3,5,5-trimethylcyclohex-3-en-1-one)
CID 159666803
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctan-1-ol;3,5,5-trimethylcyclohex-2-en-1-one
CID 138619379

Frequently Asked Questions

What is the IUPAC name of copper;3,5,5-trimethylcyclohex-2-en-1-one?
The IUPAC name of copper;3,5,5-trimethylcyclohex-2-en-1-one (CID 159197874) is copper;3,5,5-trimethylcyclohex-2-en-1-one.
What is the SMILES notation for copper;3,5,5-trimethylcyclohex-2-en-1-one?
The canonical SMILES for copper;3,5,5-trimethylcyclohex-2-en-1-one is CC1=CC(=O)CC(C)(C)C1.[Cu].
What is the InChIKey of copper;3,5,5-trimethylcyclohex-2-en-1-one?
The InChIKey is KOWYJIHOSQLDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O.Cu/c1-7-4-8(10)6-9(2,3)5-7;/h4H,5-6H2,1-3H3;.
What are the key properties of copper;3,5,5-trimethylcyclohex-2-en-1-one?
copper;3,5,5-trimethylcyclohex-2-en-1-one has a molecular weight of 201.76 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper;3,5,5-trimethylcyclohex-2-en-1-one is sourced from PubChem (CID 159197874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).