Basic information
- CAS
72928-49-5- Standard SMILES
CC(C)C1(OC=O)CC=C(CCOC=O)CC1- InChIKey
GWSRKPZGWXNWPF-UHFFFAOYSA-N- Molecular formula
- C13H20O4
- Average molar mass
- 240.29 g/mol
- Monoisotopic mass
- 240.13615911
Names & identifiers
- Preferred name
- 1-Cyclohexene-1-ethanol, 4-(formyloxy)-4-(1-methylethyl)-, 1-formate
- IUPAC
- 2-(4-formyloxy-4-propan-2-ylcyclohexen-1-yl)ethyl formate
Names & synonyms
72928-49-51-Cyclohexene-1-ethanol, 4-(formyloxy)-4-(1-methylethyl)-, formateEINECS 277-079-5DTXSID808682061-Cyclohexene-1-ethanol, 4-(formyloxy)-4-(1-methylethyl)-, 1-formateRefChem:75483DTXCID508163354-(Formyloxy)-4-(isopropyl)cyclohex-1-ene-1-ethyl formateGWSRKPZGWXNWPF-UHFFFAOYSA-NNS001217764-[2-(Formyloxy)ethyl]-1-(propan-2-yl)cyclohex-3-en-1-yl formate
Database identifiers
- CAS
72928-49-5- PubChem CID
- 166372
- DTXSID
DTXSID80868206- EC Number
- 277-079-5
- Nikkaji
- J296.414G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 296
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1-Cyclohexene-1-ethanol, 4-(formyloxy)-4-(1-methylethyl)-, formate
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Cyclohexene-1-ethanol, 4-(formyloxy)-4-(1-methylethyl)-, 1-formate: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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