Basic information
- CAS
178820-14-9- Standard SMILES
Cc1c2c(c3ccccc3c1OC(=O)C(F)(F)C(F)(F)C(F)(F)F)OC(C)(CCCC(C)CCCC(C)CCCC(C)C)CC2- InChIKey
UQUBJCQTVUKVNB-UHFFFAOYSA-N- Molecular formula
- C35H47F7O3
- Average molar mass
- 648.7 g/mol
- Monoisotopic mass
- 648.34134249
Names & identifiers
- Preferred name
- Vitamin k1(20),heptafluorobutyric deriv.
- IUPAC
- [2,5-dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrobenzo[h]chromen-6-yl] 2,2,3,3,4,4,4-heptafluorobutanoate
Names & synonyms
Vitamin k1(20),heptafluorobutyric deriv.UQUBJCQTVUKVNB-UHFFFAOYSA-NDTXSID101353370178820-14-92,5-Dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-benzo[h]chromen-6-yl 2,2,3,3,4,4,4-heptafluorobutanoate #Perfluorobutanoic acid 3,4-dihydro-2,5-dimethyl-2-(4,8,12-trimethyltridecyl)-2H-naphtho[1,2-b]pyran-6-yl ester
Database identifiers
- CAS
178820-14-9- PubChem CID
- 545768
- DTXSID
DTXSID101353370- Nikkaji
- J747.075D
Properties
Computed structural properties
- XLogP
- 13.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 16
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 939
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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