3-butyl-5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one;chloropalladium(1+)

C13H19ClO2Pd — CID 10043388

IUPAC3-butyl-5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one;chloropalladium(1+)
SMILESCl[Pd+].[H]/[C-]=C1/C(=O)C(C)=C(CCCC)C1(C)OC
InChIInChI=1S/C13H19O2.ClH.Pd/c1-6-7-8-11-9(2)12(14)10(3)13(11,4)15-5;;/h3H,6-8H2,1-2,4-5H3;1H;/q-1;;+2/p-1
InChIKeyNSAHHOKEFJZBFO-UHFFFAOYSA-M
MW349.17 g/mol
LogP3.53
Rot. Bonds4

About 3-butyl-5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one;chloropalladium(1+)

3-butyl-5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one;chloropalladium(1+) (PubChem CID 10043388) has the molecular formula C13H19ClO2Pd and a molecular weight of 349.17 g/mol. Its IUPAC name is 3-butyl-5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one;chloropalladium(1+).

Molecular Properties

Compound Name3-butyl-5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one;chloropalladium(1+)
PubChem CID10043388
Molecular FormulaC13H19ClO2Pd
Molecular Weight349.17 g/mol
Exact Mass348.01
IUPAC Name3-butyl-5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one;chloropalladium(1+)
SMILESCl[Pd+].[H]/[C-]=C1/C(=O)C(C)=C(CCCC)C1(C)OC
InChIInChI=1S/C13H19O2.ClH.Pd/c1-6-7-8-11-9(2)12(14)10(3)13(11,4)15-5;;/h3H,6-8H2,1-2,4-5H3;1H;/q-1;;+2/p-1
InChIKeyNSAHHOKEFJZBFO-UHFFFAOYSA-M
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-Butyl-4-methoxy-2-methylcyclohex-2-en-1-one
CID 134922463
4-Butyl-4-methoxy-2,3-dimethylcyclohex-2-en-1-one
CID 134922555
2-(Cyclohexen-1-yl)-4-methoxy-4-methylcyclopent-2-en-1-one
CID 139248711
4-Hept-1-ynyl-4-methoxy-2-pentylcyclopent-2-en-1-one
CID 139248714
chloro-[(1Z)-1-(2-methoxy-2,3,4-trimethyl-5-oxocyclopent-3-en-1-ylidene)pentyl]mercury
CID 9981511
1-(1-Methoxy-4-methyl-2-bicyclo[4.1.0]hept-2-enyl)ethanone
CID 123951552
3-Butyl-5-methanidylidene-4-methoxy-4-methylcyclopent-2-en-1-one;chloropalladium(1+)
CID 9997052
3-Butyl-4-methoxy-4-methyl-5-methylidenecyclopent-2-en-1-one
CID 9997053
Chloropalladium(1+);5-methanidylidene-4-methoxy-2,4-dimethyl-3-octylcyclopent-2-en-1-one
CID 10024221
4-Methoxy-2,4-dimethyl-5-methylidene-3-octylcyclopent-2-en-1-one
CID 10024222
[(Z)-(3-butyl-2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury
CID 10029226
[(Z)-(2-methoxy-2,4-dimethyl-3-octyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury
CID 10031071

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one;chloropalladium(1+)?
The IUPAC name of 3-butyl-5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one;chloropalladium(1+) (CID 10043388) is 3-butyl-5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one;chloropalladium(1+).
What is the SMILES notation for 3-butyl-5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one;chloropalladium(1+)?
The canonical SMILES for 3-butyl-5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one;chloropalladium(1+) is Cl[Pd+].[H]/[C-]=C1/C(=O)C(C)=C(CCCC)C1(C)OC.
What is the InChIKey of 3-butyl-5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one;chloropalladium(1+)?
The InChIKey is NSAHHOKEFJZBFO-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H19O2.ClH.Pd/c1-6-7-8-11-9(2)12(14)10(3)13(11,4)15-5;;/h3H,6-8H2,1-2,4-5H3;1H;/q-1;;+2/p-1.
What are the key properties of 3-butyl-5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one;chloropalladium(1+)?
3-butyl-5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one;chloropalladium(1+) has a molecular weight of 349.17 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one;chloropalladium(1+) is sourced from PubChem (CID 10043388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).