ethyl 2,3-dibromo-3-cyclopropylpropanoate

C8H12Br2O2 — CID 171562539

IUPACethyl 2,3-dibromo-3-cyclopropylpropanoate
SMILESCCOC(=O)C(Br)C(Br)C1CC1
InChIInChI=1S/C8H12Br2O2/c1-2-12-8(11)7(10)6(9)5-3-4-5/h5-7H,2-4H2,1H3
InChIKeyMTWISRJBMIMWCV-UHFFFAOYSA-N
MW299.99 g/mol
LogP2.49
Rot. Bonds4

About ethyl 2,3-dibromo-3-cyclopropylpropanoate

ethyl 2,3-dibromo-3-cyclopropylpropanoate (PubChem CID 171562539) has the molecular formula C8H12Br2O2 and a molecular weight of 299.99 g/mol. Its IUPAC name is ethyl 2,3-dibromo-3-cyclopropylpropanoate.

Molecular Properties

Compound Nameethyl 2,3-dibromo-3-cyclopropylpropanoate
PubChem CID171562539
Molecular FormulaC8H12Br2O2
Molecular Weight299.99 g/mol
Exact Mass297.92
IUPAC Nameethyl 2,3-dibromo-3-cyclopropylpropanoate
SMILESCCOC(=O)C(Br)C(Br)C1CC1
InChIInChI=1S/C8H12Br2O2/c1-2-12-8(11)7(10)6(9)5-3-4-5/h5-7H,2-4H2,1H3
InChIKeyMTWISRJBMIMWCV-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl 2,3-dibromo-3-cyclopropylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2R,3R)-3-acetyloxy-2-bromo-3-cyclopropylpropanoate
CID 139791795
ethyl 2-cyclopropyl-2-fluoroacetate
CID 171409758
diethyl 2-bromo-3-methylbutanedioate
CID 22292929
ethyl (2S)-2-amino-3,3-dicyclopropylpropanoate
CID 166888475
ethyl 2-cyclopropyl-3-sulfanylpropanoate
CID 19767893
ethyl 3-cyclopropyl-2-fluoro-3-hydroxypropanoate
CID 79367296
ethyl 2-[cyclopropyl(hydroxy)methyl]-3-methylbutanoate
CID 62398594
diethyl 2-(4-methoxycyclohexyl)propanedioate
CID 166470124
ethyl 2-bromo-2-hydroxyacetate
CID 57173380
ethyl (2R)-2-bromopropanoate
CID 7003709
ethyl 2-(4-chlorocyclohexyl)butanoate
CID 174302983
ethyl 2-cyclopentylpropanoate
CID 10654733

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dibromo-3-cyclopropylpropanoate?
The IUPAC name of ethyl 2,3-dibromo-3-cyclopropylpropanoate (CID 171562539) is ethyl 2,3-dibromo-3-cyclopropylpropanoate.
What is the SMILES notation for ethyl 2,3-dibromo-3-cyclopropylpropanoate?
The canonical SMILES for ethyl 2,3-dibromo-3-cyclopropylpropanoate is CCOC(=O)C(Br)C(Br)C1CC1.
What is the InChIKey of ethyl 2,3-dibromo-3-cyclopropylpropanoate?
The InChIKey is MTWISRJBMIMWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Br2O2/c1-2-12-8(11)7(10)6(9)5-3-4-5/h5-7H,2-4H2,1H3.
What are the key properties of ethyl 2,3-dibromo-3-cyclopropylpropanoate?
ethyl 2,3-dibromo-3-cyclopropylpropanoate has a molecular weight of 299.99 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dibromo-3-cyclopropylpropanoate is sourced from PubChem (CID 171562539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).