4,4-Dimethyl-pent-2-enoic acid methyl ester

HCID 558231CAS 16812-85-4
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Basic information

Standard SMILES
COC(=O)C=CC(C)(C)C
InChIKey
QXLWRINPDMKVHW-UHFFFAOYSA-N
Molecular formula
C8H14O2
Average molar mass
142.2 g/mol
Monoisotopic mass
142.09937969

Names & identifiers

Preferred name
4,4-Dimethyl-pent-2-enoic acid methyl ester
IUPAC
methyl 4,4-dimethylpent-2-enoate
English name
4,4-Dimethyl-2-pentenoic acid methyl ester
Molecular formula
C8H14O2
Molecular weight
142.2

Names & synonyms

16812-85-44,4-Dimethyl-pent-2-enoic acid methyl esterSCHEMBL1881404DTXSID40937442QXLWRINPDMKVHW-UHFFFAOYSA-NMethyl (E)-4,4-dimethyl-2-pentenoate4,4-Dimethyl-2-pentenoic acid methyl ester2-Pentenoic acid, 4,4-dimethyl-, methyl ester

Database identifiers

CAS
16812-85-4
PubChem CID
558231
DTXSID
DTXSID40937442

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
10

Related reactions

7 records
New reaction record

Linked notes

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