Methyl 2-butyl-2-phenylhexanoate

HCID 68872147
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Basic information

Standard SMILES
CCCCC(CCCC)(C(=O)OC)c1ccccc1
InChIKey
MFEDGNBZHFVFNV-UHFFFAOYSA-N
Molecular formula
C17H26O2
Average molar mass
262.4 g/mol
Monoisotopic mass
262.19328007

Names & identifiers

Preferred name
Methyl 2-butyl-2-phenylhexanoate
IUPAC
methyl 2-butyl-2-phenylhexanoate

Names & synonyms

SCHEMBL4001019methyl 2-butyl-2-phenylhexanoateMFEDGNBZHFVFNV-UHFFFAOYSA-N

Database identifiers

PubChem CID
68872147

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
9
Heavy atoms
19

Related reactions

5 records
New reaction record

Compound notes

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Methyl 2-butyl-2-phenylhexanoate (HCID 68872147)｜Huagongshe