Basic information
- Standard SMILES
C=C(C)C(=C)OC(C)=O- InChIKey
IPFWQVCMDDZCMA-UHFFFAOYSA-N- Molecular formula
- C7H10O2
- Average molar mass
- 126.15 g/mol
- Monoisotopic mass
- 126.06807956
Names & identifiers
- Preferred name
- 3-Methylbuta-1,3-dien-2-yl acetate
- IUPAC
- 3-methylbuta-1,3-dien-2-yl acetate
- English name
- 3-methylbuta-1,3-dien-2-yl acetate
- Molecular formula
- C7H10O2
- Molecular weight
- 126.15
Names & synonyms
3-Methylbuta-1,3-dien-2-yl acetate16824-14-9EINECS 240-847-52-Acetoxy-3-methylbutadieneSCHEMBL4908518DTXSID80168536IPFWQVCMDDZCMA-UHFFFAOYSA-N962J5E38HB2-Acetoxy-3-methyl-1,3-butadiene1,3-Butadien-2-ol, 3-methyl-, acetate1,3-Butadien-2-ol, 3-methyl-, 2-acetateNS00025519
Show more names
Acetic acid 3-methyl-1,3-butadien-2-yl ester
Database identifiers
- CAS
16824-14-9- PubChem CID
- 85601
- DTXSID
DTXSID80168536- UNII
- 962J5E38HB
- EC Number
- 240-847-5
- Nikkaji
- J236.859E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 156
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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