Basic information
- CAS
68310-60-1- Standard SMILES
CC1(C)C2CC=C(CCOC=O)C1C2- InChIKey
AUZXOWYWPAMYTN-UHFFFAOYSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067981
Names & identifiers
- Preferred name
- Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, 2-formate
- IUPAC
- 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl formate
- English name
- 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl formate
- Molecular formula
- C12H18O2
- Molecular weight
- 194.27
Names & synonyms
Nopyl formate68310-60-1EINECS 269-719-7DTXSID20887330Bicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-, formateBicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-, 2-formateBicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, 2-formateBicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, formateRefChem:119710DTXCID6010266312-(6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethyl formate2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl formate
Show more names
Formic acid 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl esterFormic acid 2-(6,6-dimethylbicyclo[3.1.1]heptane-2-ene-2-yl)ethyl ester
CHEMBL256971SCHEMBL15797965AUZXOWYWPAMYTN-UHFFFAOYSA-N2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl formateNS00060346
Database identifiers
- CAS
68310-60-1
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- LogP
- 3.53 · 3.530 (est)
- EPA Substance Registry System
- 3.1 · Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, formate (68310-60-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, 2-formate: INACTIVE
Suppliers1 total
上海问彩新材料科技有限公司15721586846 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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