tert-butyl-dimethyl-[[(1S,5R,6R)-2,2,6-trimethyl-3-tricyclo[3.3.3.01,5]undecanyl]oxy]silane

C20H38OSi — CID 162786793

IUPACtert-butyl-dimethyl-[[(1S,5R,6R)-2,2,6-trimethyl-3-tricyclo[3.3.3.01,5]undecanyl]oxy]silane
SMILESC[C@@H]1CC[C@@]23CCC[C@@]12CC(O[Si](C)(C)C(C)(C)C)C3(C)C
InChIInChI=1S/C20H38OSi/c1-15-10-13-20-12-9-11-19(15,20)14-16(18(20,5)6)21-22(7,8)17(2,3)4/h15-16H,9-14H2,1-8H3/t15-,16?,19-,20-/m1/s1
InChIKeyXEIJBUCOJUHDPV-FBXFACIRSA-N
MW322.61 g/mol
LogP6.39
Rot. Bonds2

About tert-butyl-dimethyl-[[(1S,5R,6R)-2,2,6-trimethyl-3-tricyclo[3.3.3.01,5]undecanyl]oxy]silane

tert-butyl-dimethyl-[[(1S,5R,6R)-2,2,6-trimethyl-3-tricyclo[3.3.3.01,5]undecanyl]oxy]silane (PubChem CID 162786793) has the molecular formula C20H38OSi and a molecular weight of 322.61 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,5R,6R)-2,2,6-trimethyl-3-tricyclo[3.3.3.01,5]undecanyl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,5R,6R)-2,2,6-trimethyl-3-tricyclo[3.3.3.01,5]undecanyl]oxy]silane
PubChem CID162786793
Molecular FormulaC20H38OSi
Molecular Weight322.61 g/mol
Exact Mass322.27
IUPAC Nametert-butyl-dimethyl-[[(1S,5R,6R)-2,2,6-trimethyl-3-tricyclo[3.3.3.01,5]undecanyl]oxy]silane
SMILESC[C@@H]1CC[C@@]23CCC[C@@]12CC(O[Si](C)(C)C(C)(C)C)C3(C)C
InChIInChI=1S/C20H38OSi/c1-15-10-13-20-12-9-11-19(15,20)14-16(18(20,5)6)21-22(7,8)17(2,3)4/h15-16H,9-14H2,1-8H3/t15-,16?,19-,20-/m1/s1
InChIKeyXEIJBUCOJUHDPV-FBXFACIRSA-N
XLogP6.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.61
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[[(1S,5R,6R)-2,2,6-trimethyl-3-tricyclo[3.3.3.01,5]undecanyl]oxy]silane with MolForge

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Related Compounds

(1S,3aS,3bR,6aR,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-3a,5,5,7a-tetramethyl-1,2,3,3b,4,6,6a,7-octahydrocyclopenta[a]pentalen-4-ol
CID 11595524
(1S,3aS,4R,6aS,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-3a,5,5,7a-tetramethyl-1,2,3,3b,4,6,6a,7-octahydrocyclopenta[a]pentalen-4-ol
CID 134865091
(1S,3aS,3bS,4R,6aS,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-3a,5,5,7a-tetramethyl-1,2,3,3b,4,6,6a,7-octahydrocyclopenta[a]pentalen-4-ol
CID 134889098
tert-butyl-dimethyl-[[(1R,2R,5S)-2,10,10-trimethyl-6-tricyclo[6.3.0.01,5]undecanyl]methoxy]silane
CID 135015487
[(3aR,3bR,6aR,7aR)-4,4,6a-trimethyl-2,3,3a,3b,5,6,7,7a-octahydro-1H-cyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane
CID 138982785
(6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl)oxy-tert-butyl-dimethylsilane
CID 67626281
[(1S,3aS,6aR)-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]oxy-tri(propan-2-yl)silane
CID 71000984
tert-butyl-[[(1R,5R,6S,8R,9R)-5,8-dimethyl-4-methylidene-9-propan-2-yl-6-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane
CID 10338712
[(3S,3aR,3bR,6aR,7aR)-4,4,6a-trimethyl-2,3,3a,3b,5,6,7,7a-octahydro-1H-cyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane
CID 42612112
tert-butyl-dimethyl-[[(1R,2R,5S,8R)-2,10,10-trimethyl-6-tricyclo[6.3.0.01,5]undecanyl]methoxy]silane
CID 46837536

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1S,5R,6R)-2,2,6-trimethyl-3-tricyclo[3.3.3.01,5]undecanyl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,5R,6R)-2,2,6-trimethyl-3-tricyclo[3.3.3.01,5]undecanyl]oxy]silane (CID 162786793) is tert-butyl-dimethyl-[[(1S,5R,6R)-2,2,6-trimethyl-3-tricyclo[3.3.3.01,5]undecanyl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,5R,6R)-2,2,6-trimethyl-3-tricyclo[3.3.3.01,5]undecanyl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,5R,6R)-2,2,6-trimethyl-3-tricyclo[3.3.3.01,5]undecanyl]oxy]silane is C[C@@H]1CC[C@@]23CCC[C@@]12CC(O[Si](C)(C)C(C)(C)C)C3(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,5R,6R)-2,2,6-trimethyl-3-tricyclo[3.3.3.01,5]undecanyl]oxy]silane?
The InChIKey is XEIJBUCOJUHDPV-FBXFACIRSA-N. The full InChI is InChI=1S/C20H38OSi/c1-15-10-13-20-12-9-11-19(15,20)14-16(18(20,5)6)21-22(7,8)17(2,3)4/h15-16H,9-14H2,1-8H3/t15-,16?,19-,20-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(1S,5R,6R)-2,2,6-trimethyl-3-tricyclo[3.3.3.01,5]undecanyl]oxy]silane?
tert-butyl-dimethyl-[[(1S,5R,6R)-2,2,6-trimethyl-3-tricyclo[3.3.3.01,5]undecanyl]oxy]silane has a molecular weight of 322.61 g/mol, XLogP of 6.39, 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,5R,6R)-2,2,6-trimethyl-3-tricyclo[3.3.3.01,5]undecanyl]oxy]silane is sourced from PubChem (CID 162786793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).