Dimethyl 3-cyclopentene-1,1-dicarboxylate

HCID 699253
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
84646-68-4
Standard SMILES
COC(=O)C1(C(=O)OC)CC=CC1
InChIKey
PQMIUYZOJQILOZ-UHFFFAOYSA-N
Molecular formula
C9H12O4
Average molar mass
184.19 g/mol
Monoisotopic mass
184.07355886

Names & identifiers

Preferred name
Dimethyl 3-cyclopentene-1,1-dicarboxylate
IUPAC
dimethyl cyclopent-3-ene-1,1-dicarboxylate
English name
Dimethyl 3-Cyclopentene-1,1-dicarboxylate
Molecular formula
C9H12O4
Molecular weight
184.19

Names & synonyms

84646-68-4Dimethyl 3-cyclopentene-1,1-dicarboxylateDTXSID90351391RefChem:338567DTXCID20302457dimethyl cyclopent-3-ene-1,1-dicarboxylateMethyl 1-(Methoxycarbonyl)cyclopent-3-enecarboxylateMFCD001544603-Cyclopentene-1,1-dicarboxylic acid dimethyl esterHMS1394L18Dimethyl-3-cyclopentene-1,1-dicarboxylatedimethylcyclopent-3-ene-1,1-dicarboxylate
Show more names
dimethyl 3-cyclopentene dicarbonateDIMETHYL 3-CYCLOPENTENE-1,1-DICARBONATE3-cyclopentylene-1,1-dimacetic acidimethyl ester3-Cyclopentene-1,1-dicarboxylic acid, 1,1-dimethyl ester
CS-0061802BCP24344Enamine_000260A852725SCHEMBL7090808AKOS001038189AS-15542SY039365

Database identifiers

CAS
84646-68-4
PubChem CID
699253
DTXSID
DTXSID90351391
Nikkaji
J1.677.334D

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
13

Physicochemical properties

Melting point
52 · 52-54 °C
Boiling point
205.1 · 205.1±30.0 °C(Predicted)
Density
1.183 · 1.183±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
Appearance
Off-white to light yellow Solid
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers35 total

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
成都科瑞嘉医药科技有限公司18290480864 · [email protected]

Related reactions

12 records
New reaction record

Compound notes

Loading…