(2E)-2-Ethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-butenal
Basic information
- CAS
179107-88-1- Standard SMILES
CC/C(C=O)=C\CC1CC=C(C)C1(C)C- InChIKey
RJTHDCSHVMQKDQ-KPKJPENVSA-N- Molecular formula
- C14H22O
- Average molar mass
- 206.32 g/mol
- Monoisotopic mass
- 206.16706532
Names & identifiers
- Preferred name
- (2E)-2-Ethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-butenal
- IUPAC
- (E)-2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enal
Names & synonyms
(2E)-2-Ethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-butenal179107-88-1RefChem:206400(E)-2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enalEINECS 265-455-1SCHEMBL24250322-Ethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-butenalDTXSID301180977(2E)-2-ETHYL-4-(2,2,3-TRIMETHYLCYCLOPENT-3-EN-1-YL)BUT-2-ENAL
Database identifiers
- CAS
179107-88-1、65114-02-5- PubChem CID
- 5909397
- DTXSID
DTXSID301180977- EC Number
- 265-455-1、801-014-7
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 294
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Not Classified
Not Classified
Hazard information
Regulatory InformationREACH registered substance: (2E)-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl) but-2-enal (EC: 801-014-7)
Hazard Classes and Categories
Not Classified
Not Classified
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…