[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane

C12H22OSi — CID 71175391

IUPAC[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane
SMILESCC1(C)[C@H]2CC=C(O[Si](C)(C)C)[C@@H]1C2
InChIInChI=1S/C12H22OSi/c1-12(2)9-6-7-11(10(12)8-9)13-14(3,4)5/h7,9-10H,6,8H2,1-5H3/t9-,10-/m0/s1
InChIKeyZXIJNGTVXNZEBH-UWVGGRQHSA-N
MW210.39 g/mol
LogP3.79
Rot. Bonds2

About [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane

[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane (PubChem CID 71175391) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane
PubChem CID71175391
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane
SMILESCC1(C)[C@H]2CC=C(O[Si](C)(C)C)[C@@H]1C2
InChIInChI=1S/C12H22OSi/c1-12(2)9-6-7-11(10(12)8-9)13-14(3,4)5/h7,9-10H,6,8H2,1-5H3/t9-,10-/m0/s1
InChIKeyZXIJNGTVXNZEBH-UWVGGRQHSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane?
The IUPAC name of [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane (CID 71175391) is [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane.
What is the SMILES notation for [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane?
The canonical SMILES for [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane is CC1(C)[C@H]2CC=C(O[Si](C)(C)C)[C@@H]1C2.
What is the InChIKey of [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane?
The InChIKey is ZXIJNGTVXNZEBH-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H22OSi/c1-12(2)9-6-7-11(10(12)8-9)13-14(3,4)5/h7,9-10H,6,8H2,1-5H3/t9-,10-/m0/s1.
What are the key properties of [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane?
[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane has a molecular weight of 210.39 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane is sourced from PubChem (CID 71175391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).