ethyl (1S)-2,2-dicarbonochloridoylcyclopropane-1-carboxylate

C8H8Cl2O4 — CID 129386310

IUPACethyl (1S)-2,2-dicarbonochloridoylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1CC1(C(=O)Cl)C(=O)Cl
InChIInChI=1S/C8H8Cl2O4/c1-2-14-5(11)4-3-8(4,6(9)12)7(10)13/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyCBZKYNFSFHCFCN-SCSAIBSYSA-N
MW239.05 g/mol
LogP1.09
Rot. Bonds4

About ethyl (1S)-2,2-dicarbonochloridoylcyclopropane-1-carboxylate

ethyl (1S)-2,2-dicarbonochloridoylcyclopropane-1-carboxylate (PubChem CID 129386310) has the molecular formula C8H8Cl2O4 and a molecular weight of 239.05 g/mol. Its IUPAC name is ethyl (1S)-2,2-dicarbonochloridoylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1S)-2,2-dicarbonochloridoylcyclopropane-1-carboxylate
PubChem CID129386310
Molecular FormulaC8H8Cl2O4
Molecular Weight239.05 g/mol
Exact Mass237.98
IUPAC Nameethyl (1S)-2,2-dicarbonochloridoylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1CC1(C(=O)Cl)C(=O)Cl
InChIInChI=1S/C8H8Cl2O4/c1-2-14-5(11)4-3-8(4,6(9)12)7(10)13/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyCBZKYNFSFHCFCN-SCSAIBSYSA-N
XLogP1.09
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.05
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
ethyl 2-amino-2-methylcyclopropane-1-carboxylate
CID 70501712
ethyl 2-chloro-2-formylcyclopropane-1-carboxylate
CID 130035467
ethyl 2-bromo-2-fluorocyclopropane-1-carboxylate
CID 22371314
trans-ethyl (1R,2R)-2-carbonochloridoylcyclopropane-1-carboxylate
CID 12547530
ethyl 5,5,7,7-tetramethylspiro[2.5]octane-2-carboxylate
CID 67102506
diethyl 5-aminocyclohexane-1,3-dicarboxylate
CID 117273182
ethyl 2,2-difluorocyclobutane-1-carboxylate
CID 130638255
ethyl 5-oxaspiro[2.4]heptane-2-carboxylate
CID 130668492
ethyl 4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate
CID 118383562
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159

Frequently Asked Questions

What is the IUPAC name of ethyl (1S)-2,2-dicarbonochloridoylcyclopropane-1-carboxylate?
The IUPAC name of ethyl (1S)-2,2-dicarbonochloridoylcyclopropane-1-carboxylate (CID 129386310) is ethyl (1S)-2,2-dicarbonochloridoylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl (1S)-2,2-dicarbonochloridoylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl (1S)-2,2-dicarbonochloridoylcyclopropane-1-carboxylate is CCOC(=O)[C@H]1CC1(C(=O)Cl)C(=O)Cl.
What is the InChIKey of ethyl (1S)-2,2-dicarbonochloridoylcyclopropane-1-carboxylate?
The InChIKey is CBZKYNFSFHCFCN-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H8Cl2O4/c1-2-14-5(11)4-3-8(4,6(9)12)7(10)13/h4H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of ethyl (1S)-2,2-dicarbonochloridoylcyclopropane-1-carboxylate?
ethyl (1S)-2,2-dicarbonochloridoylcyclopropane-1-carboxylate has a molecular weight of 239.05 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S)-2,2-dicarbonochloridoylcyclopropane-1-carboxylate is sourced from PubChem (CID 129386310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).