tert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate

C24H44F6O10Si3 — CID 59734869

IUPACtert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate
SMILESCO[Si](CCCC(O)(C(F)(F)F)C(F)(F)F)(O[Si](OC)(OC)OC)O[Si](C)(OC)C1CC2CC(C(=O)OC(C)(C)C)C1C2
InChIInChI=1S/C24H44F6O10Si3/c1-21(2,3)38-20(31)18-14-16-13-17(18)19(15-16)41(9,33-4)39-42(34-5,40-43(35-6,36-7)37-8)12-10-11-22(32,23(25,26)27)24(28,29)30/h16-19,32H,10-15H2,1-9H3
InChIKeyLCRCRDDSJZSRRL-UHFFFAOYSA-N
MW690.85 g/mol
LogP5.09
Rot. Bonds15

About tert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate

tert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 59734869) has the molecular formula C24H44F6O10Si3 and a molecular weight of 690.85 g/mol. Its IUPAC name is tert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate
PubChem CID59734869
Molecular FormulaC24H44F6O10Si3
Molecular Weight690.85 g/mol
Exact Mass690.21
IUPAC Nametert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate
SMILESCO[Si](CCCC(O)(C(F)(F)F)C(F)(F)F)(O[Si](OC)(OC)OC)O[Si](C)(OC)C1CC2CC(C(=O)OC(C)(C)C)C1C2
InChIInChI=1S/C24H44F6O10Si3/c1-21(2,3)38-20(31)18-14-16-13-17(18)19(15-16)41(9,33-4)39-42(34-5,40-43(35-6,36-7)37-8)12-10-11-22(32,23(25,26)27)24(28,29)30/h16-19,32H,10-15H2,1-9H3
InChIKeyLCRCRDDSJZSRRL-UHFFFAOYSA-N
XLogP5.09
TPSA111.14 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of tert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate (CID 59734869) is tert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for tert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for tert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate is CO[Si](CCCC(O)(C(F)(F)F)C(F)(F)F)(O[Si](OC)(OC)OC)O[Si](C)(OC)C1CC2CC(C(=O)OC(C)(C)C)C1C2.
What is the InChIKey of tert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is LCRCRDDSJZSRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44F6O10Si3/c1-21(2,3)38-20(31)18-14-16-13-17(18)19(15-16)41(9,33-4)39-42(34-5,40-43(35-6,36-7)37-8)12-10-11-22(32,23(25,26)27)24(28,29)30/h16-19,32H,10-15H2,1-9H3.
What are the key properties of tert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate?
tert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 690.85 g/mol, XLogP of 5.09, 15 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 59734869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).