triphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]silane

C28H32OSi — CID 102431329

IUPACtriphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]silane
SMILESCC1(C)[C@H]2CC[C@](C)(C2)[C@H]1O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32OSi/c1-27(2)22-19-20-28(3,21-22)26(27)29-30(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,22,26H,19-21H2,1-3H3/t22-,26-,28+/m0/s1
InChIKeyHKKMKNDBKWSSHL-CVTPTMSISA-N
MW412.65 g/mol
LogP4.88
Rot. Bonds5

About triphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]silane

triphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]silane (PubChem CID 102431329) has the molecular formula C28H32OSi and a molecular weight of 412.65 g/mol. Its IUPAC name is triphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]silane.

Molecular Properties

Compound Nametriphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]silane
PubChem CID102431329
Molecular FormulaC28H32OSi
Molecular Weight412.65 g/mol
Exact Mass412.22
IUPAC Nametriphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]silane
SMILESCC1(C)[C@H]2CC[C@](C)(C2)[C@H]1O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32OSi/c1-27(2)22-19-20-28(3,21-22)26(27)29-30(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,22,26H,19-21H2,1-3H3/t22-,26-,28+/m0/s1
InChIKeyHKKMKNDBKWSSHL-CVTPTMSISA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.65
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze triphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]silane with MolForge

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Related Compounds

trans-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] (2R,3R)-2,3-diphenylcyclopropane-1-carboxylate
CID 101216321
diphenyl-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane
CID 46184537
[2,3,4,5,6-pentakis(triphenylsilyloxy)cyclohexyl]oxy-triphenylsilane
CID 102382950
(3aS,8aS)-2,2-dimethyl-4,4,8,8-tetraphenyl-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepine
CID 101088776
(3aR,8aR)-2,2-dimethyl-4,4,8,8-tetraphenyl-6-[[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepine
CID 10675740
(1R,2S,4S)-2-diphenylphosphoryl-1,3,3-trimethylbicyclo[2.2.1]heptane
CID 46184539
(1R,4S)-1,3,3-trimethyl-N-(2-methyl-1-phenylpropyl)bicyclo[2.2.1]heptan-2-amine
CID 115400500
1,3,3-trimethyl-N-phenylmethoxybicyclo[2.2.1]heptan-2-amine
CID 82710310
(1R,4S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400949
2-phenyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanol
CID 115400798
(1R,4S)-1,3,3-trimethyl-N-(4-phenylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine
CID 115400384
1-(4-phenylpiperazin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol
CID 3404650

Frequently Asked Questions

What is the IUPAC name of triphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]silane?
The IUPAC name of triphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]silane (CID 102431329) is triphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]silane.
What is the SMILES notation for triphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]silane?
The canonical SMILES for triphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]silane is CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]silane?
The InChIKey is HKKMKNDBKWSSHL-CVTPTMSISA-N. The full InChI is InChI=1S/C28H32OSi/c1-27(2)22-19-20-28(3,21-22)26(27)29-30(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,22,26H,19-21H2,1-3H3/t22-,26-,28+/m0/s1.
What are the key properties of triphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]silane?
triphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]silane has a molecular weight of 412.65 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]silane is sourced from PubChem (CID 102431329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).