dichloroplatinum;ethyl N-chloro-N-[chloro(ethoxycarbonyl)carbamoyl]carbamate

C7H10Cl4N2O5Pt — CID 158006083

IUPACdichloroplatinum;ethyl N-chloro-N-[chloro(ethoxycarbonyl)carbamoyl]carbamate
SMILESCCOC(=O)N(Cl)C(=O)N(Cl)C(=O)OCC.Cl[Pt]Cl
InChIInChI=1S/C7H10Cl2N2O5.2ClH.Pt/c1-3-15-6(13)10(8)5(12)11(9)7(14)16-4-2;;;/h3-4H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyFEHSORIRJLVJKV-UHFFFAOYSA-L
MW539.06 g/mol
LogP3.71
Rot. Bonds2

About dichloroplatinum;ethyl N-chloro-N-[chloro(ethoxycarbonyl)carbamoyl]carbamate

dichloroplatinum;ethyl N-chloro-N-[chloro(ethoxycarbonyl)carbamoyl]carbamate (PubChem CID 158006083) has the molecular formula C7H10Cl4N2O5Pt and a molecular weight of 539.06 g/mol. Its IUPAC name is dichloroplatinum;ethyl N-chloro-N-[chloro(ethoxycarbonyl)carbamoyl]carbamate.

Molecular Properties

Compound Namedichloroplatinum;ethyl N-chloro-N-[chloro(ethoxycarbonyl)carbamoyl]carbamate
PubChem CID158006083
Molecular FormulaC7H10Cl4N2O5Pt
Molecular Weight539.06 g/mol
Exact Mass536.90
IUPAC Namedichloroplatinum;ethyl N-chloro-N-[chloro(ethoxycarbonyl)carbamoyl]carbamate
SMILESCCOC(=O)N(Cl)C(=O)N(Cl)C(=O)OCC.Cl[Pt]Cl
InChIInChI=1S/C7H10Cl2N2O5.2ClH.Pt/c1-3-15-6(13)10(8)5(12)11(9)7(14)16-4-2;;;/h3-4H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyFEHSORIRJLVJKV-UHFFFAOYSA-L
XLogP3.71
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.06
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl N,N-diaminocarbamate
CID 54365685
ethoxycarbonyl(ethyl)carbamic acid
CID 54008560
ethyl N-acetyl-N-ethoxycarbonylcarbamate
CID 4688283
ethyl N-[ethoxycarbonyl(methoxy)amino]-N-methoxycarbamate
CID 86250669
ethyl N-(2-chloroethyl)-N-methylcarbamate
CID 12882312
ethyl N-methyl-N-nitrocarbamate
CID 14381973
ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate
CID 11777393
ethyl N-ethyl-N-(methylcarbamoyl)carbamate
CID 165094929
ethyl N-bromo-N-carbamoylcarbamate
CID 122363823
ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate
CID 87185486
ethyl N-ethyl-N-propan-2-ylcarbamate
CID 61216466
ethyl N-acetyl-N-propanoylcarbamate
CID 121227334

Frequently Asked Questions

What is the IUPAC name of dichloroplatinum;ethyl N-chloro-N-[chloro(ethoxycarbonyl)carbamoyl]carbamate?
The IUPAC name of dichloroplatinum;ethyl N-chloro-N-[chloro(ethoxycarbonyl)carbamoyl]carbamate (CID 158006083) is dichloroplatinum;ethyl N-chloro-N-[chloro(ethoxycarbonyl)carbamoyl]carbamate.
What is the SMILES notation for dichloroplatinum;ethyl N-chloro-N-[chloro(ethoxycarbonyl)carbamoyl]carbamate?
The canonical SMILES for dichloroplatinum;ethyl N-chloro-N-[chloro(ethoxycarbonyl)carbamoyl]carbamate is CCOC(=O)N(Cl)C(=O)N(Cl)C(=O)OCC.Cl[Pt]Cl.
What is the InChIKey of dichloroplatinum;ethyl N-chloro-N-[chloro(ethoxycarbonyl)carbamoyl]carbamate?
The InChIKey is FEHSORIRJLVJKV-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H10Cl2N2O5.2ClH.Pt/c1-3-15-6(13)10(8)5(12)11(9)7(14)16-4-2;;;/h3-4H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichloroplatinum;ethyl N-chloro-N-[chloro(ethoxycarbonyl)carbamoyl]carbamate?
dichloroplatinum;ethyl N-chloro-N-[chloro(ethoxycarbonyl)carbamoyl]carbamate has a molecular weight of 539.06 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroplatinum;ethyl N-chloro-N-[chloro(ethoxycarbonyl)carbamoyl]carbamate is sourced from PubChem (CID 158006083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).