Ethyl 3,3-dimethylspiro[bicyclo[2.2.1]heptane-2,1'-cyclopropane]-2'-carboxylate

HCID 255826

Notes Reactions

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Basic information

CAS: 33883-43-1
Standard SMILES: CCOC(=O)C1CC12C1CCC(C1)C2(C)C
InChIKey: BQPQSEJGXGGTHY-UHFFFAOYSA-N
Molecular formula: C14H22O2
Average molar mass: 222.32 g/mol
Monoisotopic mass: 222.16197994

Names & identifiers

Preferred name: Ethyl 3,3-dimethylspiro[bicyclo[2.2.1]heptane-2,1'-cyclopropane]-2'-carboxylate
IUPAC: ethyl 2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,2'-cyclopropane]-1'-carboxylate

Names & synonyms

ethyl 3,3-dimethylspiro[bicyclo[2.2.1]heptane-2,1'-cyclopropane]-2'-carboxylate33883-43-1NSC81732SCHEMBL1634519DTXSID40292326BQPQSEJGXGGTHY-UHFFFAOYSA-NNSC-81732

Database identifiers

CAS: 33883-43-1
PubChem CID: 255826
DTXSID: DTXSID40292326

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 334

Related reactions

2 records

New reaction record

HRID 662843As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 2079474As reactantuspto-grants-2011_04

Compound notes

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