4-n-Hexoxyphenyl-4'-n-decyloxybenzoate
Basic information
- CAS
68162-09-4- Standard SMILES
CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(OCCCCCC)cc2)cc1- InChIKey
JBMARNOUPBCWIL-UHFFFAOYSA-N- Molecular formula
- C29H42O4
- Average molar mass
- 454.6 g/mol
- Monoisotopic mass
- 454.30830982
Names & identifiers
- Preferred name
- 4-n-Hexoxyphenyl-4'-n-decyloxybenzoate
- IUPAC
- (4-hexoxyphenyl) 4-decoxybenzoate
- English name
- 4-(n-Decyloxy)benzoic acid,4-(n-hexyloxy)phenyl ether
- Molecular formula
- C29H42O4
- Molecular weight
- 454.64
Names & synonyms
68162-09-44-(n-Decyloxy)benzoic acid,4-(n-hexyloxy)phenyl ether4-n-Hexoxyphenyl-4'-n-decyloxybenzoateDTXSID00218340RefChem:100003DTXCID20140831JBMARNOUPBCWIL-UHFFFAOYSA-N4-(Hexyloxy)phenyl 4-(decyloxy)benzoate4-n-Hexyloxyphenyl 4'-n-decyloxybenzoate(4-hexoxyphenyl) 4-decoxybenzoateCDS1_002475ChemDiv1_018731
Show more names
4-(decyloxy)-4-(hexyloxy)phenyl ester4-n-decyloxy-(4'-n-hexyloxyphenyl)-benzoateBenzoic acid, 4-(decyloxy)-, 4-(hexyloxy)phenyl ester
DivK1c_003515SCHEMBL9235751HMS640D09AKOS0245759544-(Hexyloxy)phenyl 4-(decyloxy)benzoate #p-decyloxybenzoic acid-p-n-hexyloxyphenyl esterF0347-1402
Database identifiers
- CAS
68162-09-4- PubChem CID
- 144282
- DTXSID
DTXSID00218340- Nikkaji
- J669.117J
Properties
Computed structural properties
- XLogP
- 10.1
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 464
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Compound notes
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