Basic information
- CAS
83266-87-9- Standard SMILES
O=C(CCCCCO)OCc1ccccc1- InChIKey
OODHJPDDRCGXMP-UHFFFAOYSA-N- Molecular formula
- C13H18O3
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.12559444
Names & identifiers
- Preferred name
- Benzyl 6-hydroxyhexanoate
- IUPAC
- benzyl 6-hydroxyhexanoate
Names & synonyms
benzyl 6-hydroxyhexanoate125878-06-0Hexanoic acid, 6-hydroxy-, phenylmethyl esterMFCD2640370583266-87-9Benzyl 6-Hydroxycaproate; 6-Hydroxy-hexanoic Acid Phenylmethyl Ester; 2,5-Dioxo-1-pyrrolidinyl 4-Azidobutanoate; (2,5-Dioxopyrrolidin-1-yl) 4-Azidobutanoate; 2,5-Dioxopyrrolidin-1-yl 4-azidobutanoate5-Cbz-1-pentanol6-hydroxyhexanoic acid phenylmethyl esterbenzyl-6-hydroxyhexanoateSCHEMBL905734SCHEMBL8614110OODHJPDDRCGXMP-UHFFFAOYSA-N
Show more names
DTXSID601187122AS-77366DA-13390SY310755D93761F844185Poly[oxy(1-oxo-1,6-hexanediyl)], I+/--(phenylmethyl)-I-hydroxy-
Database identifiers
- CAS
83266-87-9- PubChem CID
- 15224618
- DTXSID
DTXSID601187122- Nikkaji
- J1.330.890J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 186
Related reactions
18 records
Compound notes
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