Basic information
- CAS
72785-12-7- Standard SMILES
C=C(CC)CCCC(C)(C)OC=O- InChIKey
RUTJCZQSBRUHJG-UHFFFAOYSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Names & identifiers
- Preferred name
- 2-Octanol, 2-methyl-6-methylene-, 2-formate
- IUPAC
- (2-methyl-6-methylideneoctan-2-yl) formate
- English name
- 2-Methyl-6-methylene-2-octanol formate
- Molecular formula
- C11H20O2
- Molecular weight
- 184.28
Names & synonyms
2-Octanol, 2-methyl-6-methylene-, formate72785-12-72-Octanol, 2-methyl-6-methylene-, 2-formateDTXSID90868171RefChem:88854DTXCID408163042-METHYL-6-METHYLIDENEOCTAN-2-YL FORMATERUTJCZQSBRUHJG-UHFFFAOYSA-N2-Methyl-6-methylene-2-octanol formate
Database identifiers
- CAS
72785-12-7- PubChem CID
- 175155
- DTXSID
DTXSID90868171- Nikkaji
- J447.191A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Octanol, 2-methyl-6-methylene-, formate (72785-12-7)
- 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 Information2-Octanol, 2-methyl-6-methylene-, 2-formate: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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