tert-butyl-dimethyl-[[(1R,5S,6R)-2,7,7-trimethyl-6-bicyclo[3.1.1]hept-2-enyl]oxy]silane

C16H30OSi — CID 134865480

IUPACtert-butyl-dimethyl-[[(1R,5S,6R)-2,7,7-trimethyl-6-bicyclo[3.1.1]hept-2-enyl]oxy]silane
SMILESCC1=CC[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C2(C)C
InChIInChI=1S/C16H30OSi/c1-11-9-10-12-14(13(11)16(12,5)6)17-18(7,8)15(2,3)4/h9,12-14H,10H2,1-8H3/t12-,13+,14-/m1/s1
InChIKeyZFNWJCLIRQCVBA-HZSPNIEDSA-N
MW266.50 g/mol
LogP5.00
Rot. Bonds2

About tert-butyl-dimethyl-[[(1R,5S,6R)-2,7,7-trimethyl-6-bicyclo[3.1.1]hept-2-enyl]oxy]silane

tert-butyl-dimethyl-[[(1R,5S,6R)-2,7,7-trimethyl-6-bicyclo[3.1.1]hept-2-enyl]oxy]silane (PubChem CID 134865480) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1R,5S,6R)-2,7,7-trimethyl-6-bicyclo[3.1.1]hept-2-enyl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1R,5S,6R)-2,7,7-trimethyl-6-bicyclo[3.1.1]hept-2-enyl]oxy]silane
PubChem CID134865480
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Nametert-butyl-dimethyl-[[(1R,5S,6R)-2,7,7-trimethyl-6-bicyclo[3.1.1]hept-2-enyl]oxy]silane
SMILESCC1=CC[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C2(C)C
InChIInChI=1S/C16H30OSi/c1-11-9-10-12-14(13(11)16(12,5)6)17-18(7,8)15(2,3)4/h9,12-14H,10H2,1-8H3/t12-,13+,14-/m1/s1
InChIKeyZFNWJCLIRQCVBA-HZSPNIEDSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.50
LogP ≤ 55.00
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

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Tert-butyl-[2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethoxy]-dimethylsilane
CID 12164613
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CID 167311432
[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methoxy-trimethylsilane
CID 101712693
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CID 58913831
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CID 99771830
tert-butyl-[[(1R,5S)-6,6-dimethyl-4-methylidene-2-bicyclo[3.1.1]hept-2-enyl]oxy]-dimethylsilane
CID 145747833
[(1S,4aS,8aS)-2,5,8a-trimethyl-4,4a,7,8-tetrahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
CID 11186295
tert-butyl-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy]-dimethylsilane
CID 11482911
2-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy-trimethylsilane
CID 11806716

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1R,5S,6R)-2,7,7-trimethyl-6-bicyclo[3.1.1]hept-2-enyl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1R,5S,6R)-2,7,7-trimethyl-6-bicyclo[3.1.1]hept-2-enyl]oxy]silane (CID 134865480) is tert-butyl-dimethyl-[[(1R,5S,6R)-2,7,7-trimethyl-6-bicyclo[3.1.1]hept-2-enyl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1R,5S,6R)-2,7,7-trimethyl-6-bicyclo[3.1.1]hept-2-enyl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1R,5S,6R)-2,7,7-trimethyl-6-bicyclo[3.1.1]hept-2-enyl]oxy]silane is CC1=CC[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C2(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[(1R,5S,6R)-2,7,7-trimethyl-6-bicyclo[3.1.1]hept-2-enyl]oxy]silane?
The InChIKey is ZFNWJCLIRQCVBA-HZSPNIEDSA-N. The full InChI is InChI=1S/C16H30OSi/c1-11-9-10-12-14(13(11)16(12,5)6)17-18(7,8)15(2,3)4/h9,12-14H,10H2,1-8H3/t12-,13+,14-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(1R,5S,6R)-2,7,7-trimethyl-6-bicyclo[3.1.1]hept-2-enyl]oxy]silane?
tert-butyl-dimethyl-[[(1R,5S,6R)-2,7,7-trimethyl-6-bicyclo[3.1.1]hept-2-enyl]oxy]silane has a molecular weight of 266.50 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1R,5S,6R)-2,7,7-trimethyl-6-bicyclo[3.1.1]hept-2-enyl]oxy]silane is sourced from PubChem (CID 134865480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).