copper;4-propan-2-ylcyclohepta-2,4,6-triene-1-carbaldehyde

C11H14CuO — CID 174771455

IUPACcopper;4-propan-2-ylcyclohepta-2,4,6-triene-1-carbaldehyde
SMILESCC(C)C1=CC=CC(C=O)C=C1.[Cu]
InChIInChI=1S/C11H14O.Cu/c1-9(2)11-5-3-4-10(8-12)6-7-11;/h3-10H,1-2H3;
InChIKeyVVDRHZVYUBQTST-UHFFFAOYSA-N
MW225.78 g/mol
LogP2.51
Rot. Bonds2

About copper;4-propan-2-ylcyclohepta-2,4,6-triene-1-carbaldehyde

copper;4-propan-2-ylcyclohepta-2,4,6-triene-1-carbaldehyde (PubChem CID 174771455) has the molecular formula C11H14CuO and a molecular weight of 225.78 g/mol. Its IUPAC name is copper;4-propan-2-ylcyclohepta-2,4,6-triene-1-carbaldehyde.

Molecular Properties

Compound Namecopper;4-propan-2-ylcyclohepta-2,4,6-triene-1-carbaldehyde
PubChem CID174771455
Molecular FormulaC11H14CuO
Molecular Weight225.78 g/mol
Exact Mass225.03
IUPAC Namecopper;4-propan-2-ylcyclohepta-2,4,6-triene-1-carbaldehyde
SMILESCC(C)C1=CC=CC(C=O)C=C1.[Cu]
InChIInChI=1S/C11H14O.Cu/c1-9(2)11-5-3-4-10(8-12)6-7-11;/h3-10H,1-2H3;
InChIKeyVVDRHZVYUBQTST-UHFFFAOYSA-N
XLogP2.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.78
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

calcium;hydride;4-propylcyclohepta-2,4,6-triene-1-carbaldehyde
CID 174715871
4-oxocyclohexa-2,5-diene-1-carbaldehyde
CID 19741942
4-methyl-5-sulfanylcyclohepta-2,4,6-triene-1-carbaldehyde
CID 144624447
3,3-dimethyl-N-(4-propan-2-ylcyclohepta-2,4,6-trien-1-yl)butanamide
CID 138710604
3-methylcyclopenta-2,4-diene-1-carbaldehyde
CID 131862306
4-propan-2-ylcyclohexa-2,4-dien-1-ol
CID 139242852
3-propan-2-ylcyclopenta-2,4-dien-1-ol
CID 146647616
ethene;5-methyl-2-propan-2-ylcyclopenta-1,3-diene
CID 143684715
CID 134888675
CID 134888675
6-methoxy-5-methyl-2-propan-2-ylcyclohexa-1,3-diene
CID 123371365
2-propan-2-yl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 154520136
N-[(2S)-2-(5-methylcyclohepta-1,3,6-trien-1-yl)propyl]methanimine
CID 154694138

Frequently Asked Questions

What is the IUPAC name of copper;4-propan-2-ylcyclohepta-2,4,6-triene-1-carbaldehyde?
The IUPAC name of copper;4-propan-2-ylcyclohepta-2,4,6-triene-1-carbaldehyde (CID 174771455) is copper;4-propan-2-ylcyclohepta-2,4,6-triene-1-carbaldehyde.
What is the SMILES notation for copper;4-propan-2-ylcyclohepta-2,4,6-triene-1-carbaldehyde?
The canonical SMILES for copper;4-propan-2-ylcyclohepta-2,4,6-triene-1-carbaldehyde is CC(C)C1=CC=CC(C=O)C=C1.[Cu].
What is the InChIKey of copper;4-propan-2-ylcyclohepta-2,4,6-triene-1-carbaldehyde?
The InChIKey is VVDRHZVYUBQTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.Cu/c1-9(2)11-5-3-4-10(8-12)6-7-11;/h3-10H,1-2H3;.
What are the key properties of copper;4-propan-2-ylcyclohepta-2,4,6-triene-1-carbaldehyde?
copper;4-propan-2-ylcyclohepta-2,4,6-triene-1-carbaldehyde has a molecular weight of 225.78 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper;4-propan-2-ylcyclohepta-2,4,6-triene-1-carbaldehyde is sourced from PubChem (CID 174771455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).