Basic information
- CAS
56922-72-6- Standard SMILES
CCCCCOC(=O)C=C(C)C- InChIKey
NMUKAHSPJUKENF-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- Pentyl 3-methyl-2-butenoate
- IUPAC
- pentyl 3-methylbut-2-enoate
- English name
- pentyl 3-methyl-2-butenoate
- Molecular formula
- C10H18O2
- Molecular weight
- 170.24872
Names & synonyms
Pentyl 3-methyl-2-butenoate56922-72-62-Butenoic acid, 3-methyl-, pentyl esterEINECS 260-436-43-Methyl-2-butenoic acid, pentyl esterAI3-32915DTXSID00205472NSC 61854RefChem:171508DTXCID00127963260-436-4NMUKAHSPJUKENF-UHFFFAOYSA-N
Show more names
3-Methyl-2-butenoic acid pentyl ester
NSC-61854pentyl 3-methylbut-2-enoateNSC61854S6VYN39TVEAmyl beta,beta-dimethylacrylatePentyl 3-methyl-2-butenoate #DB-266624NS00033603
Database identifiers
- CAS
56922-72-6- PubChem CID
- 92569
- DTXSID
DTXSID00205472- UNII
- S6VYN39TVE
- EC Number
- 260-436-4
- Nikkaji
- J267.136K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- LogP
- 3.753 · 3.753 (est)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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