Hexahydro-3a,7a-dimethyl-4,7-epoxyisobenzofuran-1,3-dione

HCID 2545CAS 10385-74-7
Substructure searchFind similar structures

Basic information

Standard SMILES
CC12C(=O)OC(=O)C1(C)C1CCC2O1
InChIKey
DHZBEENLJMYSHQ-UHFFFAOYSA-N
Molecular formula
C10H12O4
Average molar mass
196.2 g/mol
Monoisotopic mass
196.07355886

Overview

LSM-4433 is a furofuran.

Names & identifiers

Preferred name
Hexahydro-3a,7a-dimethyl-4,7-epoxyisobenzofuran-1,3-dione
IUPAC
2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione

Names & synonyms

Hexahydro-3a,7a-dimethyl-4,7-epoxyisobenzofuran-1,3-dioneDTXSID1085899810385-74-7RefChem:1086552DTXCID0020979380558-50-5NSC 1904212,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-CAN [Alkaloid]4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3aalpha,4alpha,7alpha,7aalpha)SR-01000075779
Show more names
epi-CantharidinNSC 618053a,7a-Dimethylhexahydro-4,7-epoxyisobenzofuran-1,3-dioneCHEMBL8066Lopac0_000248BSPBio_001546KBioGR_000266KBioSS_000266

Database identifiers

CAS
10385-74-7、80558-50-5
PubChem CID
2545
DTXSID
DTXSID10858998
ChEMBL
CHEMBL8066
ChEBI
CHEBI:93862

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
14

Related reactions

1 records
New reaction record

Linked notes

Loading…