cadmium(2+);bis(cyclohex-3-ene-1-carboxylate)

C14H18CdO4 — CID 22604823

IUPACcadmium(2+);bis(cyclohex-3-ene-1-carboxylate)
SMILESO=C([O-])C1CC=CCC1.O=C([O-])C1CC=CCC1.[Cd+2]
InChIInChI=1S/2C7H10O2.Cd/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-2,6H,3-5H2,(H,8,9);/q;;+2/p-2
InChIKeyVSXHVFWTEIDLPO-UHFFFAOYSA-L
MW362.71 g/mol
LogP0.18
Rot. Bonds2

About cadmium(2+);bis(cyclohex-3-ene-1-carboxylate)

cadmium(2+);bis(cyclohex-3-ene-1-carboxylate) (PubChem CID 22604823) has the molecular formula C14H18CdO4 and a molecular weight of 362.71 g/mol. Its IUPAC name is cadmium(2+);bis(cyclohex-3-ene-1-carboxylate).

Molecular Properties

Compound Namecadmium(2+);bis(cyclohex-3-ene-1-carboxylate)
PubChem CID22604823
Molecular FormulaC14H18CdO4
Molecular Weight362.71 g/mol
Exact Mass364.02
IUPAC Namecadmium(2+);bis(cyclohex-3-ene-1-carboxylate)
SMILESO=C([O-])C1CC=CCC1.O=C([O-])C1CC=CCC1.[Cd+2]
InChIInChI=1S/2C7H10O2.Cd/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-2,6H,3-5H2,(H,8,9);/q;;+2/p-2
InChIKeyVSXHVFWTEIDLPO-UHFFFAOYSA-L
XLogP0.18
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.71
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3E,7Z)-cyclodeca-3,7-diene-1-carboxylic acid
CID 177407584
1-[(1R)-cyclohex-3-en-1-yl]ethanone
CID 15562643
1-cyclohex-3-en-1-yl-2-nitroethanone
CID 130676211
(1S)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide
CID 51983300
(1R)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide
CID 51983299
(2S)-1-[(1S)-cyclohex-3-en-1-yl]-2-hydroxy-3-methylbutan-1-one
CID 134993534
1-[(1R)-cyclohex-3-en-1-yl]ethenol
CID 166940864
bis[(3E,5E,9E)-cyclododeca-3,5,9-trien-1-yl]methanone
CID 140793632
N-(trideuteriomethyl)cyclohex-3-ene-1-carboxamide
CID 156676783
1-cyclohex-3-en-1-yl-4-hydroxybutan-1-one
CID 89079848
N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 171577227
1-cyclooct-3-en-1-ylethanone
CID 66747175

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);bis(cyclohex-3-ene-1-carboxylate)?
The IUPAC name of cadmium(2+);bis(cyclohex-3-ene-1-carboxylate) (CID 22604823) is cadmium(2+);bis(cyclohex-3-ene-1-carboxylate).
What is the SMILES notation for cadmium(2+);bis(cyclohex-3-ene-1-carboxylate)?
The canonical SMILES for cadmium(2+);bis(cyclohex-3-ene-1-carboxylate) is O=C([O-])C1CC=CCC1.O=C([O-])C1CC=CCC1.[Cd+2].
What is the InChIKey of cadmium(2+);bis(cyclohex-3-ene-1-carboxylate)?
The InChIKey is VSXHVFWTEIDLPO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H10O2.Cd/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-2,6H,3-5H2,(H,8,9);/q;;+2/p-2.
What are the key properties of cadmium(2+);bis(cyclohex-3-ene-1-carboxylate)?
cadmium(2+);bis(cyclohex-3-ene-1-carboxylate) has a molecular weight of 362.71 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);bis(cyclohex-3-ene-1-carboxylate) is sourced from PubChem (CID 22604823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).