tert-butyl-dimethyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane

C20H30OSi — CID 134959843

IUPACtert-butyl-dimethyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1c2ccccc2C2[C@H]3CCC(C3)[C@H]21
InChIInChI=1S/C20H30OSi/c1-20(2,3)22(4,5)21-19-16-9-7-6-8-15(16)17-13-10-11-14(12-13)18(17)19/h6-9,13-14,17-19H,10-12H2,1-5H3/t13-,14?,17?,18+,19-/m0/s1
InChIKeyVKMCIFQBSBOGFN-LTKIWKHMSA-N
MW314.55 g/mol
LogP5.89
Rot. Bonds2

About tert-butyl-dimethyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane

tert-butyl-dimethyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane (PubChem CID 134959843) has the molecular formula C20H30OSi and a molecular weight of 314.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane
PubChem CID134959843
Molecular FormulaC20H30OSi
Molecular Weight314.55 g/mol
Exact Mass314.21
IUPAC Nametert-butyl-dimethyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1c2ccccc2C2[C@H]3CCC(C3)[C@H]21
InChIInChI=1S/C20H30OSi/c1-20(2,3)22(4,5)21-19-16-9-7-6-8-15(16)17-13-10-11-14(12-13)18(17)19/h6-9,13-14,17-19H,10-12H2,1-5H3/t13-,14?,17?,18+,19-/m0/s1
InChIKeyVKMCIFQBSBOGFN-LTKIWKHMSA-N
XLogP5.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.55
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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
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
3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethyl-3H-2,1-benzoxasilole
CID 102099199
tert-butyl-dimethyl-[[(1S,2S)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane
CID 162537325
(6-Fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl)oxy-tri(propan-2-yl)silane
CID 122226622
tert-butyl-[[(1S)-4-(fluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
CID 144390334
2,3-dihydro-1H-inden-1-yloxy(trimethyl)silane
CID 16086847
[(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
[(4aR,9R,9aR)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,9-tetrahydrofluoren-9-yl]oxy-tert-butyl-dimethylsilane
CID 134864612
tri(propan-2-yl)-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane
CID 134959745
[(1S,9R,10R)-5-tert-butyl-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane
CID 134959746
tert-butyl-diphenyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane
CID 134959748

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane (CID 134959843) is tert-butyl-dimethyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane is CC(C)(C)[Si](C)(C)O[C@H]1c2ccccc2C2[C@H]3CCC(C3)[C@H]21.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane?
The InChIKey is VKMCIFQBSBOGFN-LTKIWKHMSA-N. The full InChI is InChI=1S/C20H30OSi/c1-20(2,3)22(4,5)21-19-16-9-7-6-8-15(16)17-13-10-11-14(12-13)18(17)19/h6-9,13-14,17-19H,10-12H2,1-5H3/t13-,14?,17?,18+,19-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane?
tert-butyl-dimethyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane has a molecular weight of 314.55 g/mol, XLogP of 5.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane is sourced from PubChem (CID 134959843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).