Methyl 9-nonyloxynonanoate
Basic information
- CAS
39692-47-2- Standard SMILES
CCCCCCCCCOCCCCCCCCC(=O)OC- InChIKey
WXOJEHDBYMAPMU-UHFFFAOYSA-N- Molecular formula
- C19H38O3
- Average molar mass
- 314.5 g/mol
- Monoisotopic mass
- 314.28209507
Overview
Nonanoic acid, 9-(nonyloxy)-, methyl ester has been reported in Solanum tuberosum with data available.
Names & identifiers
- Preferred name
- Methyl 9-nonyloxynonanoate
- IUPAC
- methyl 9-nonoxynonanoate
- English name
- Nonanoic acid, 9-(nonyloxy)-, methyl ester
- Molecular weight
- 0
Names & synonyms
Nonanoic acid, 9-(nonyloxy)-, methyl esterMethyl 9-nonyloxynonanoateDTXSID20336878methyl 9-nonoxynonanoateRefChem:356499DTXCID10287966WXOJEHDBYMAPMU-UHFFFAOYSA-N39692-47-2methyl 9-(nonyloxy)nonanoatemethyl nonyloxy-9-nonanoate9-(Nonyloxy)nonanoic acid methyl ester
Database identifiers
- CAS
39692-47-2- PubChem CID
- 537003
- DTXSID
DTXSID20336878- Nikkaji
- J117.110K
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 229
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Related reactions
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Compound notes
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