Basic information
- CAS
5457-66-9- Standard SMILES
CCCCCCCC(=O)OC(C)(C)C- InChIKey
BRHAUGJKIFZHDU-UHFFFAOYSA-N- Molecular formula
- C12H24O2
- Average molar mass
- 200.32 g/mol
- Monoisotopic mass
- 200.17763
Names & identifiers
- Preferred name
- tert-Butyl octanoate
- IUPAC
- tert-butyl octanoate
- English name
- tert-butyl octanoate
- Molecular formula
- C12H24O2
- Molecular weight
- 200.31776
Names & synonyms
tert-Butyl octanoate5457-66-9Octanoic acid, 1,1-dimethylethyl esterOctanoic acid-tert butyl esterEINECS 226-717-0Octanoic acid, t-butyl esterAI3-31004DTXSID90202995NSC 23944RefChem:188212DTXCID20125486226-717-0
Show more names
BRHAUGJKIFZHDU-UHFFFAOYSA-Noctanoic acid tert-butyl esterOctanoic acid, tert-butyl estert-butyl octanoatetert-Butyl octanoate #SCHEMBL3823631SCHEMBL4739766SCHEMBL4739770
Database identifiers
- CAS
5457-66-9- PubChem CID
- 79562
- DTXSID
DTXSID90202995- EC Number
- 226-717-0
- Nikkaji
- J210.513F
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 156
Chemistry & industry
Suppliers6 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
安那莱（齐河）新材料科技有限公司18600642180（微信同） 13391601435 · [email protected]
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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