tri(propan-2-yl)-[[(1S,9R,10R)-5-(trifluoromethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy]silane

C24H35F3OSi — CID 134959844

IUPACtri(propan-2-yl)-[[(1S,9R,10R)-5-(trifluoromethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy]silane
SMILESCC(C)[Si](O[C@H]1c2ccc(C(F)(F)F)cc2C2[C@H]3CCC(C3)[C@H]21)(C(C)C)C(C)C
InChIInChI=1S/C24H35F3OSi/c1-13(2)29(14(3)4,15(5)6)28-23-19-10-9-18(24(25,26)27)12-20(19)21-16-7-8-17(11-16)22(21)23/h9-10,12-17,21-23H,7-8,11H2,1-6H3/t16-,17?,21?,22+,23-/m0/s1
InChIKeyHJYGRVGJOQPURU-XJWPQZHPSA-N
MW424.62 g/mol
LogP8.08
Rot. Bonds5

About tri(propan-2-yl)-[[(1S,9R,10R)-5-(trifluoromethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy]silane

tri(propan-2-yl)-[[(1S,9R,10R)-5-(trifluoromethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy]silane (PubChem CID 134959844) has the molecular formula C24H35F3OSi and a molecular weight of 424.62 g/mol. Its IUPAC name is tri(propan-2-yl)-[[(1S,9R,10R)-5-(trifluoromethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[[(1S,9R,10R)-5-(trifluoromethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy]silane
PubChem CID134959844
Molecular FormulaC24H35F3OSi
Molecular Weight424.62 g/mol
Exact Mass424.24
IUPAC Nametri(propan-2-yl)-[[(1S,9R,10R)-5-(trifluoromethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy]silane
SMILESCC(C)[Si](O[C@H]1c2ccc(C(F)(F)F)cc2C2[C@H]3CCC(C3)[C@H]21)(C(C)C)C(C)C
InChIInChI=1S/C24H35F3OSi/c1-13(2)29(14(3)4,15(5)6)28-23-19-10-9-18(24(25,26)27)12-20(19)21-16-7-8-17(11-16)22(21)23/h9-10,12-17,21-23H,7-8,11H2,1-6H3/t16-,17?,21?,22+,23-/m0/s1
InChIKeyHJYGRVGJOQPURU-XJWPQZHPSA-N
XLogP8.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.62
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tri(propan-2-yl)-[[(1S,9R,10R)-5-(trifluoromethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy]silane with MolForge

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Related Compounds

[(1S,9R,10R)-5-fluoro-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane
CID 134959747
tert-butyl-dimethyl-[[(1S,2S)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane
CID 162537325
tert-butyl-[[(1S)-4-(1,1-difluoro-2-methoxy-2-methylpropyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
CID 67813661
tert-butyl-[(S)-4-(1,1-difluoro-2-methoxy-ethyl)-indan-1-yloxy]-dimethyl-silane
CID 67814369
tert-butyl-[[4-(1,1-difluoro-2-methoxy-2-methylpropyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
CID 77360161
tert-butyl-[[4-(1,1-difluoro-2-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
CID 77360305
Tert-butyl-[1-[7-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9,9-difluorofluoren-2-yl]ethenoxy]-dimethylsilane
CID 89405915
[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]boronic acid
CID 89826195
tert-butyl-[[(1S)-4-(fluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
CID 144390334
tert-butyl-dimethyl-[[(1S)-2,2,4-trifluoro-7-methyl-1,3-dihydroinden-1-yl]oxy]silane
CID 157619845
tert-butyl-[(E)-1-(9,9-difluorofluoren-2-yl)prop-1-enoxy]-dimethylsilane
CID 171484191
[(4aS,9S,9aR)-1,1,4a-trimethyl-7-propan-2-yl-3,4,9,9a-tetrahydro-2H-fluoren-9-yl]oxy-tert-butyl-dimethylsilane
CID 134833685

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[[(1S,9R,10R)-5-(trifluoromethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy]silane?
The IUPAC name of tri(propan-2-yl)-[[(1S,9R,10R)-5-(trifluoromethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy]silane (CID 134959844) is tri(propan-2-yl)-[[(1S,9R,10R)-5-(trifluoromethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy]silane.
What is the SMILES notation for tri(propan-2-yl)-[[(1S,9R,10R)-5-(trifluoromethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy]silane?
The canonical SMILES for tri(propan-2-yl)-[[(1S,9R,10R)-5-(trifluoromethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy]silane is CC(C)[Si](O[C@H]1c2ccc(C(F)(F)F)cc2C2[C@H]3CCC(C3)[C@H]21)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[[(1S,9R,10R)-5-(trifluoromethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy]silane?
The InChIKey is HJYGRVGJOQPURU-XJWPQZHPSA-N. The full InChI is InChI=1S/C24H35F3OSi/c1-13(2)29(14(3)4,15(5)6)28-23-19-10-9-18(24(25,26)27)12-20(19)21-16-7-8-17(11-16)22(21)23/h9-10,12-17,21-23H,7-8,11H2,1-6H3/t16-,17?,21?,22+,23-/m0/s1.
What are the key properties of tri(propan-2-yl)-[[(1S,9R,10R)-5-(trifluoromethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy]silane?
tri(propan-2-yl)-[[(1S,9R,10R)-5-(trifluoromethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy]silane has a molecular weight of 424.62 g/mol, XLogP of 8.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[[(1S,9R,10R)-5-(trifluoromethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy]silane is sourced from PubChem (CID 134959844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).