cis-ethyl (2R,3S)-2,3-bis(bromomethyl)cyclopropane-1-carboxylate

C8H12Br2O2 — CID 11822694

IUPACcis-ethyl (2R,3S)-2,3-bis(bromomethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1[C@@H](CBr)[C@H]1CBr
InChIInChI=1S/C8H12Br2O2/c1-2-12-8(11)7-5(3-9)6(7)4-10/h5-7H,2-4H2,1H3/t5-,6+,7?
InChIKeyXJVKDIZCCIRPAP-MEKDEQNOSA-N
MW299.99 g/mol
LogP2.20
Rot. Bonds4

About cis-ethyl (2R,3S)-2,3-bis(bromomethyl)cyclopropane-1-carboxylate

cis-ethyl (2R,3S)-2,3-bis(bromomethyl)cyclopropane-1-carboxylate (PubChem CID 11822694) has the molecular formula C8H12Br2O2 and a molecular weight of 299.99 g/mol. Its IUPAC name is cis-ethyl (2R,3S)-2,3-bis(bromomethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (2R,3S)-2,3-bis(bromomethyl)cyclopropane-1-carboxylate
PubChem CID11822694
Molecular FormulaC8H12Br2O2
Molecular Weight299.99 g/mol
Exact Mass297.92
IUPAC Namecis-ethyl (2R,3S)-2,3-bis(bromomethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1[C@@H](CBr)[C@H]1CBr
InChIInChI=1S/C8H12Br2O2/c1-2-12-8(11)7-5(3-9)6(7)4-10/h5-7H,2-4H2,1H3/t5-,6+,7?
InChIKeyXJVKDIZCCIRPAP-MEKDEQNOSA-N
XLogP2.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.99
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-diethyl (1R,2R)-3-(hydroxymethyl)cyclopropane-1,2-dicarboxylate
CID 102308215
diethyl 3,4-dimethylcyclobutane-1,2-dicarboxylate
CID 121013896
ethyl 2,3-dihexylcyclopropane-1-carboxylate
CID 101157938
tetraethyl bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylate
CID 12580813
cis-diethyl (1R,2S)-3-[(dimethylamino)methyl]cyclopropane-1,2-dicarboxylate
CID 71480426
ethyl cycloprop-2-ene-1-carboxylate
CID 14936132
diethyl (1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 11107465
diethyl (1R,3R,4S)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 58077966
diethyl (2R,3R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 59722419
ethyl (1S,3S,4R,6S)-3,4-dihydroxybicyclo[4.1.0]heptane-7-carboxylate
CID 98525001
[(1R,2S,3R)-2-ethoxycarbonyl-3-ethylcyclopropyl]-trifluoroboranuide
CID 166000319
ethyl (1R,2R,3S)-2-methyl-3-pentylcyclopropane-1-carboxylate
CID 140932694

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (2R,3S)-2,3-bis(bromomethyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (2R,3S)-2,3-bis(bromomethyl)cyclopropane-1-carboxylate (CID 11822694) is cis-ethyl (2R,3S)-2,3-bis(bromomethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (2R,3S)-2,3-bis(bromomethyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (2R,3S)-2,3-bis(bromomethyl)cyclopropane-1-carboxylate is CCOC(=O)C1[C@@H](CBr)[C@H]1CBr.
What is the InChIKey of cis-ethyl (2R,3S)-2,3-bis(bromomethyl)cyclopropane-1-carboxylate?
The InChIKey is XJVKDIZCCIRPAP-MEKDEQNOSA-N. The full InChI is InChI=1S/C8H12Br2O2/c1-2-12-8(11)7-5(3-9)6(7)4-10/h5-7H,2-4H2,1H3/t5-,6+,7?.
What are the key properties of cis-ethyl (2R,3S)-2,3-bis(bromomethyl)cyclopropane-1-carboxylate?
cis-ethyl (2R,3S)-2,3-bis(bromomethyl)cyclopropane-1-carboxylate has a molecular weight of 299.99 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (2R,3S)-2,3-bis(bromomethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 11822694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).