Bicyclo[3,2,2]non-8-ene-2-carbonyl mono-tert-butyl malonate

HCID 86757166
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Basic information

Standard SMILES
CC(C)(C)OC(=O)CC(=O)OC(=O)C1CCC2C=CC1CC2
InChIKey
TULDXNRFGUBEHJ-UHFFFAOYSA-N
Molecular formula
C17H24O5
Average molar mass
308.4 g/mol

Names & identifiers

Preferred name
Bicyclo[3,2,2]non-8-ene-2-carbonyl mono-tert-butyl malonate
IUPAC
1-O-(bicyclo[3.2.2]non-6-ene-2-carbonyl) 3-O-tert-butyl propanedioate

Names & synonyms

SCHEMBL7715899TULDXNRFGUBEHJ-UHFFFAOYSA-Nbicyclo[3,2,2]non-8-ene-2-carbonyl mono-tert-butyl malonate

Database identifiers

PubChem CID
86757166

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
69.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
22

Related reactions

2 records
New reaction record

Compound notes

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