tert-butyl-dimethyl-[[(1R,2R,5S,8R)-2,10,10-trimethyl-6-tricyclo[6.3.0.01,5]undecanyl]methoxy]silane

C21H40OSi — CID 46837536

IUPACtert-butyl-dimethyl-[[(1R,2R,5S,8R)-2,10,10-trimethyl-6-tricyclo[6.3.0.01,5]undecanyl]methoxy]silane
SMILESC[C@@H]1CC[C@H]2C(CO[Si](C)(C)C(C)(C)C)C[C@@H]3CC(C)(C)C[C@]312
InChIInChI=1S/C21H40OSi/c1-15-9-10-18-16(13-22-23(7,8)19(2,3)4)11-17-12-20(5,6)14-21(15,17)18/h15-18H,9-14H2,1-8H3/t15-,16?,17-,18+,21-/m1/s1
InChIKeyQRZUMAVIDUQAAI-PLMNBDQRSA-N
MW336.64 g/mol
LogP6.50
Rot. Bonds3

About tert-butyl-dimethyl-[[(1R,2R,5S,8R)-2,10,10-trimethyl-6-tricyclo[6.3.0.01,5]undecanyl]methoxy]silane

tert-butyl-dimethyl-[[(1R,2R,5S,8R)-2,10,10-trimethyl-6-tricyclo[6.3.0.01,5]undecanyl]methoxy]silane (PubChem CID 46837536) has the molecular formula C21H40OSi and a molecular weight of 336.64 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1R,2R,5S,8R)-2,10,10-trimethyl-6-tricyclo[6.3.0.01,5]undecanyl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1R,2R,5S,8R)-2,10,10-trimethyl-6-tricyclo[6.3.0.01,5]undecanyl]methoxy]silane
PubChem CID46837536
Molecular FormulaC21H40OSi
Molecular Weight336.64 g/mol
Exact Mass336.28
IUPAC Nametert-butyl-dimethyl-[[(1R,2R,5S,8R)-2,10,10-trimethyl-6-tricyclo[6.3.0.01,5]undecanyl]methoxy]silane
SMILESC[C@@H]1CC[C@H]2C(CO[Si](C)(C)C(C)(C)C)C[C@@H]3CC(C)(C)C[C@]312
InChIInChI=1S/C21H40OSi/c1-15-9-10-18-16(13-22-23(7,8)19(2,3)4)11-17-12-20(5,6)14-21(15,17)18/h15-18H,9-14H2,1-8H3/t15-,16?,17-,18+,21-/m1/s1
InChIKeyQRZUMAVIDUQAAI-PLMNBDQRSA-N
XLogP6.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.64
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[[(1R,2R,5S,8R)-2,10,10-trimethyl-6-tricyclo[6.3.0.01,5]undecanyl]methoxy]silane with MolForge

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Related Compounds

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
tert-butyldimethyl(((3aR,4R,6aS)-1,1,4-trimethyltetrahydro-1H,4H-3a,6a-propanopentalen-2-yl)oxy)silane
CID 162786793
2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-ylmethoxy-tert-butyl-dimethylsilane
CID 67626280
8-(2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl)octoxy-butyl-dimethylsilane
CID 70400848
[(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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1R,2R,5S,8R)-2,10,10-trimethyl-6-tricyclo[6.3.0.01,5]undecanyl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1R,2R,5S,8R)-2,10,10-trimethyl-6-tricyclo[6.3.0.01,5]undecanyl]methoxy]silane (CID 46837536) is tert-butyl-dimethyl-[[(1R,2R,5S,8R)-2,10,10-trimethyl-6-tricyclo[6.3.0.01,5]undecanyl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1R,2R,5S,8R)-2,10,10-trimethyl-6-tricyclo[6.3.0.01,5]undecanyl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1R,2R,5S,8R)-2,10,10-trimethyl-6-tricyclo[6.3.0.01,5]undecanyl]methoxy]silane is C[C@@H]1CC[C@H]2C(CO[Si](C)(C)C(C)(C)C)C[C@@H]3CC(C)(C)C[C@]312.
What is the InChIKey of tert-butyl-dimethyl-[[(1R,2R,5S,8R)-2,10,10-trimethyl-6-tricyclo[6.3.0.01,5]undecanyl]methoxy]silane?
The InChIKey is QRZUMAVIDUQAAI-PLMNBDQRSA-N. The full InChI is InChI=1S/C21H40OSi/c1-15-9-10-18-16(13-22-23(7,8)19(2,3)4)11-17-12-20(5,6)14-21(15,17)18/h15-18H,9-14H2,1-8H3/t15-,16?,17-,18+,21-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(1R,2R,5S,8R)-2,10,10-trimethyl-6-tricyclo[6.3.0.01,5]undecanyl]methoxy]silane?
tert-butyl-dimethyl-[[(1R,2R,5S,8R)-2,10,10-trimethyl-6-tricyclo[6.3.0.01,5]undecanyl]methoxy]silane has a molecular weight of 336.64 g/mol, XLogP of 6.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1R,2R,5S,8R)-2,10,10-trimethyl-6-tricyclo[6.3.0.01,5]undecanyl]methoxy]silane is sourced from PubChem (CID 46837536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).