tert-butyl-dimethyl-[[(1R,2S,3S,6R,7S)-3-tricyclo[5.2.1.02,6]dec-8-enyl]methoxy]silane

C17H30OSi — CID 90881746

IUPACtert-butyl-dimethyl-[[(1R,2S,3S,6R,7S)-3-tricyclo[5.2.1.02,6]dec-8-enyl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CC[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C17H30OSi/c1-17(2,3)19(4,5)18-11-14-8-9-15-12-6-7-13(10-12)16(14)15/h6-7,12-16H,8-11H2,1-5H3/t12-,13+,14-,15-,16-/m1/s1
InChIKeyZKFNEIZNTQIFCK-YIDVYQOGSA-N
MW278.51 g/mol
LogP4.86
Rot. Bonds3

About tert-butyl-dimethyl-[[(1R,2S,3S,6R,7S)-3-tricyclo[5.2.1.02,6]dec-8-enyl]methoxy]silane

tert-butyl-dimethyl-[[(1R,2S,3S,6R,7S)-3-tricyclo[5.2.1.02,6]dec-8-enyl]methoxy]silane (PubChem CID 90881746) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1R,2S,3S,6R,7S)-3-tricyclo[5.2.1.02,6]dec-8-enyl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1R,2S,3S,6R,7S)-3-tricyclo[5.2.1.02,6]dec-8-enyl]methoxy]silane
PubChem CID90881746
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Nametert-butyl-dimethyl-[[(1R,2S,3S,6R,7S)-3-tricyclo[5.2.1.02,6]dec-8-enyl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CC[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C17H30OSi/c1-17(2,3)19(4,5)18-11-14-8-9-15-12-6-7-13(10-12)16(14)15/h6-7,12-16H,8-11H2,1-5H3/t12-,13+,14-,15-,16-/m1/s1
InChIKeyZKFNEIZNTQIFCK-YIDVYQOGSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.51
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(Trimethylsiloxymethyl)norbornene
CID 14197921
tert-Butyldimethyl(((3aS,7R,8aS)-3,8,8-trimethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-6-yl)methoxy)silane
CID 60147480
5-(Triethylsiloxymethyl)norbornene
CID 85778197
[(1R)-1-but-3-enyl-5,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]methoxy-tert-butyl-dimethylsilane
CID 135015332
[(1R)-1-but-3-enyl-5,5-dimethyl-1,2,3,3a,4,6-hexahydropentalen-6a-id-2-yl]methoxy-tert-butyl-dimethylsilane
CID 135015486
rel-trimethyl[(3aR,4S,7R,7aR)-3a,4,7,7a-tetrahydro-1H-4,7-methanoinden-6-yloxy]silane
CID 639624
[(2S,3aS,4R,7aS)-2-ethenyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane
CID 11780869
2-(2-Bicyclo[2.2.1]hept-5-enyl)ethoxy-dimethyl-trimethylsilylsilane
CID 18506378
3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triethylsilane
CID 18622688
4,4-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triethylsilane
CID 18622766
Triethoxy(3-tricyclo[5.2.1.02,6]deca-4,8-dienyl)silane
CID 20161914
CID 20589043
CID 20589043

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1R,2S,3S,6R,7S)-3-tricyclo[5.2.1.02,6]dec-8-enyl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1R,2S,3S,6R,7S)-3-tricyclo[5.2.1.02,6]dec-8-enyl]methoxy]silane (CID 90881746) is tert-butyl-dimethyl-[[(1R,2S,3S,6R,7S)-3-tricyclo[5.2.1.02,6]dec-8-enyl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1R,2S,3S,6R,7S)-3-tricyclo[5.2.1.02,6]dec-8-enyl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1R,2S,3S,6R,7S)-3-tricyclo[5.2.1.02,6]dec-8-enyl]methoxy]silane is CC(C)(C)[Si](C)(C)OC[C@H]1CC[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1.
What is the InChIKey of tert-butyl-dimethyl-[[(1R,2S,3S,6R,7S)-3-tricyclo[5.2.1.02,6]dec-8-enyl]methoxy]silane?
The InChIKey is ZKFNEIZNTQIFCK-YIDVYQOGSA-N. The full InChI is InChI=1S/C17H30OSi/c1-17(2,3)19(4,5)18-11-14-8-9-15-12-6-7-13(10-12)16(14)15/h6-7,12-16H,8-11H2,1-5H3/t12-,13+,14-,15-,16-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(1R,2S,3S,6R,7S)-3-tricyclo[5.2.1.02,6]dec-8-enyl]methoxy]silane?
tert-butyl-dimethyl-[[(1R,2S,3S,6R,7S)-3-tricyclo[5.2.1.02,6]dec-8-enyl]methoxy]silane has a molecular weight of 278.51 g/mol, XLogP of 4.86, 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,2S,3S,6R,7S)-3-tricyclo[5.2.1.02,6]dec-8-enyl]methoxy]silane is sourced from PubChem (CID 90881746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).