cis-(1R,2S)-1,2-dimethylcyclopropane-1,2-dicarbonyl chloride

C7H8Cl2O2 — CID 131845502

IUPACcis-(1R,2S)-1,2-dimethylcyclopropane-1,2-dicarbonyl chloride
SMILESC[C@@]1(C(=O)Cl)C[C@]1(C)C(=O)Cl
InChIInChI=1S/C7H8Cl2O2/c1-6(4(8)10)3-7(6,2)5(9)11/h3H2,1-2H3/t6-,7+
InChIKeyJTBLKILTEKZSMG-KNVOCYPGSA-N
MW195.04 g/mol
LogP1.93
Rot. Bonds2

About cis-(1R,2S)-1,2-dimethylcyclopropane-1,2-dicarbonyl chloride

cis-(1R,2S)-1,2-dimethylcyclopropane-1,2-dicarbonyl chloride (PubChem CID 131845502) has the molecular formula C7H8Cl2O2 and a molecular weight of 195.04 g/mol. Its IUPAC name is cis-(1R,2S)-1,2-dimethylcyclopropane-1,2-dicarbonyl chloride.

Molecular Properties

Compound Namecis-(1R,2S)-1,2-dimethylcyclopropane-1,2-dicarbonyl chloride
PubChem CID131845502
Molecular FormulaC7H8Cl2O2
Molecular Weight195.04 g/mol
Exact Mass193.99
IUPAC Namecis-(1R,2S)-1,2-dimethylcyclopropane-1,2-dicarbonyl chloride
SMILESC[C@@]1(C(=O)Cl)C[C@]1(C)C(=O)Cl
InChIInChI=1S/C7H8Cl2O2/c1-6(4(8)10)3-7(6,2)5(9)11/h3H2,1-2H3/t6-,7+
InChIKeyJTBLKILTEKZSMG-KNVOCYPGSA-N
XLogP1.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.04
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1,2-dimethylcyclopropane-1,2-dicarbonyl chloride?
The IUPAC name of cis-(1R,2S)-1,2-dimethylcyclopropane-1,2-dicarbonyl chloride (CID 131845502) is cis-(1R,2S)-1,2-dimethylcyclopropane-1,2-dicarbonyl chloride.
What is the SMILES notation for cis-(1R,2S)-1,2-dimethylcyclopropane-1,2-dicarbonyl chloride?
The canonical SMILES for cis-(1R,2S)-1,2-dimethylcyclopropane-1,2-dicarbonyl chloride is C[C@@]1(C(=O)Cl)C[C@]1(C)C(=O)Cl.
What is the InChIKey of cis-(1R,2S)-1,2-dimethylcyclopropane-1,2-dicarbonyl chloride?
The InChIKey is JTBLKILTEKZSMG-KNVOCYPGSA-N. The full InChI is InChI=1S/C7H8Cl2O2/c1-6(4(8)10)3-7(6,2)5(9)11/h3H2,1-2H3/t6-,7+.
What are the key properties of cis-(1R,2S)-1,2-dimethylcyclopropane-1,2-dicarbonyl chloride?
cis-(1R,2S)-1,2-dimethylcyclopropane-1,2-dicarbonyl chloride has a molecular weight of 195.04 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1,2-dimethylcyclopropane-1,2-dicarbonyl chloride is sourced from PubChem (CID 131845502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).