4-[6-(Acryloyloxy)hexyloxy]benzoic acid 4-[4-(hexyloxy)benzoyloxy]phenyl ester
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Basic information
- CAS
911377-12-3- Standard SMILES
C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCC)cc3)cc2)cc1- InChIKey
XTLCVRBLWJMTLY-UHFFFAOYSA-N- Molecular formula
- C35H40O8
- Average molar mass
- 588.7 g/mol
- Monoisotopic mass
- 588.27231823
Names & identifiers
- Preferred name
- 4-[6-(Acryloyloxy)hexyloxy]benzoic acid 4-[4-(hexyloxy)benzoyloxy]phenyl ester
- IUPAC
- [4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-hexoxybenzoate
- English name
- MMN
- Molecular formula
- C35H40O8
- Molecular weight
- 588.69
Names & synonyms
4-((4-((6-(Acryloyloxy)hexyl)oxy)benzoyl)oxy)phenyl 4-(hexyloxy)benzoate4-[6-(Acryloyloxy)hexyloxy]benzoic acid 4-[4-(hexyloxy)benzoyloxy]phenyl ester911377-12-3[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-hexoxybenzoateSCHEMBL27411064-((4-((6-(Acryloyloxy)hexyl)oxy)benzoyl)oxy)phenyl4-(hexyloxy)benzoateMMNBenzoic acid, 4-(hexyloxy)-, 4-[[4-[[6-[(1-oxo-2-propenyl)oxy]hexyl]oxy]benzoyl]oxy]phenyl ester
Database identifiers
- CAS
911377-12-3- PubChem CID
- 58030548
- Nikkaji
- J1.802.779H
Properties
Computed structural propertiesFilling in
- XLogP
- 8.9
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 22
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 805
Physicochemical properties
- Boiling point
- 706.5 · 706.5±60.0 °C(Predicted)
- Density
- 1.137 · 1.137±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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