diethyl 2-(bromomethyl)cyclopropane-1,1-dicarboxylate

C10H15BrO4 — CID 12740750

IUPACdiethyl 2-(bromomethyl)cyclopropane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC1CBr
InChIInChI=1S/C10H15BrO4/c1-3-14-8(12)10(5-7(10)6-11)9(13)15-4-2/h7H,3-6H2,1-2H3
InChIKeyHSBWSMSYVIEDQU-UHFFFAOYSA-N
MW279.13 g/mol
LogP1.51
Rot. Bonds5

About diethyl 2-(bromomethyl)cyclopropane-1,1-dicarboxylate

diethyl 2-(bromomethyl)cyclopropane-1,1-dicarboxylate (PubChem CID 12740750) has the molecular formula C10H15BrO4 and a molecular weight of 279.13 g/mol. Its IUPAC name is diethyl 2-(bromomethyl)cyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-(bromomethyl)cyclopropane-1,1-dicarboxylate
PubChem CID12740750
Molecular FormulaC10H15BrO4
Molecular Weight279.13 g/mol
Exact Mass278.02
IUPAC Namediethyl 2-(bromomethyl)cyclopropane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC1CBr
InChIInChI=1S/C10H15BrO4/c1-3-14-8(12)10(5-7(10)6-11)9(13)15-4-2/h7H,3-6H2,1-2H3
InChIKeyHSBWSMSYVIEDQU-UHFFFAOYSA-N
XLogP1.51
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethyl 2-propylcyclopropane-1,1-dicarboxylate
CID 14811904
diethyl (2S)-2-heptylcyclopropane-1,1-dicarboxylate
CID 68664186
diethyl 2-fluorocyclopropane-1,1-dicarboxylate
CID 134464391
diethyl 2-methylsulfonylcyclopropane-1,1-dicarboxylate
CID 102568908
diethyl (2R)-2-methylsulfonylcyclopropane-1,1-dicarboxylate
CID 99998367
diethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1,1-dicarboxylate
CID 10946695
ethyl 1-(bromomethyl)cyclobutane-1-carboxylate
CID 127263900
ethyl 4-ethylpiperidin-1-ium-4-carboxylate
CID 86307047
2-bromo-2-ethoxycarbonylcyclopropane-1-carboxylic acid
CID 139621481
ethyl 1,2-bis(hydroxymethyl)cyclopropane-1-carboxylate
CID 12035454
ethyl 1-ethyl-4-hydroxycyclohexane-1-carboxylate
CID 58597127
ethyl (1R,4R)-2,2-difluorobicyclo[2.1.0]pentane-1-carboxylate
CID 10678846

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(bromomethyl)cyclopropane-1,1-dicarboxylate?
The IUPAC name of diethyl 2-(bromomethyl)cyclopropane-1,1-dicarboxylate (CID 12740750) is diethyl 2-(bromomethyl)cyclopropane-1,1-dicarboxylate.
What is the SMILES notation for diethyl 2-(bromomethyl)cyclopropane-1,1-dicarboxylate?
The canonical SMILES for diethyl 2-(bromomethyl)cyclopropane-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CC1CBr.
What is the InChIKey of diethyl 2-(bromomethyl)cyclopropane-1,1-dicarboxylate?
The InChIKey is HSBWSMSYVIEDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrO4/c1-3-14-8(12)10(5-7(10)6-11)9(13)15-4-2/h7H,3-6H2,1-2H3.
What are the key properties of diethyl 2-(bromomethyl)cyclopropane-1,1-dicarboxylate?
diethyl 2-(bromomethyl)cyclopropane-1,1-dicarboxylate has a molecular weight of 279.13 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(bromomethyl)cyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 12740750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).