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

HCID 2545CAS 10385-74-7

部分構造検索類似構造を探す

基本情報

標準SMILES: CC12C(=O)OC(=O)C1(C)C1CCC2O1
InChIKey: DHZBEENLJMYSHQ-UHFFFAOYSA-N
分子式: C10H12O4
平均分子量: 196.2 g/mol
単同位体質量: 196.07355886

概要

LSM-4433 is a furofuran.

名称と識別子

優先名称: 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

名称と別名

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

名称をさらに表示

epi-CantharidinNSC 618053a,7a-Dimethylhexahydro-4,7-epoxyisobenzofuran-1,3-dioneCHEMBL8066Lopac0_000248BSPBio_001546KBioGR_000266KBioSS_000266

データベース識別子

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

物性

構造計算による物性

XLogP: 0.6
極性表面積: 52.6 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 14
形式電荷: 0
複雑度: 318