CAS 1001180-78-4 Ethyl 2,2-dimethyl-5-oxocyclopentane-1-carboxylate (HCID 67339971)

Substructure search Find similar structures

Basic information

CAS: 1001180-78-4
Standard SMILES: CCOC(=O)C1C(=O)CCC1(C)C
InChIKey: CDOYMQTVAXPCPY-UHFFFAOYSA-N
Molecular formula: C10H16O3
Average molar mass: 184.23 g/mol

Names & identifiers

Preferred name: Ethyl 2,2-dimethyl-5-oxocyclopentane-1-carboxylate
IUPAC: ethyl 2,2-dimethyl-5-oxocyclopentane-1-carboxylate

Names & synonyms

ethyl 2,2-dimethyl-5-oxocyclopentane-1-carboxylate1001180-78-4RefChem:593433868-348-3ethyl 2,2-dimethyl-5-oxocyclopentanecarboxylateethyl2,2-dimethyl-5-oxocyclopentane-1-carboxylateSCHEMBL2264463CDOYMQTVAXPCPY-UHFFFAOYSA-NBQB18078EN300-112385

Database identifiers

CAS: 1001180-78-4
PubChem CID: 67339971
EC Number: 868-348-3
Nikkaji: J2.230.918H

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 230

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.