[(1R,5S)-6,6-dimethyl-4-methylidene-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane

C13H22OSi — CID 162417900

IUPAC[(1R,5S)-6,6-dimethyl-4-methylidene-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane
SMILESC=C1C=C(O[Si](C)(C)C)[C@@H]2C[C@H]1C2(C)C
InChIInChI=1S/C13H22OSi/c1-9-7-12(14-15(4,5)6)11-8-10(9)13(11,2)3/h7,10-11H,1,8H2,2-6H3/t10-,11+/m1/s1
InChIKeyHMGXLHPXPOQAFQ-MNOVXSKESA-N
MW222.40 g/mol
LogP3.95
Rot. Bonds2

About [(1R,5S)-6,6-dimethyl-4-methylidene-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane

[(1R,5S)-6,6-dimethyl-4-methylidene-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane (PubChem CID 162417900) has the molecular formula C13H22OSi and a molecular weight of 222.40 g/mol. Its IUPAC name is [(1R,5S)-6,6-dimethyl-4-methylidene-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1R,5S)-6,6-dimethyl-4-methylidene-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane
PubChem CID162417900
Molecular FormulaC13H22OSi
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Name[(1R,5S)-6,6-dimethyl-4-methylidene-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane
SMILESC=C1C=C(O[Si](C)(C)C)[C@@H]2C[C@H]1C2(C)C
InChIInChI=1S/C13H22OSi/c1-9-7-12(14-15(4,5)6)11-8-10(9)13(11,2)3/h7,10-11H,1,8H2,2-6H3/t10-,11+/m1/s1
InChIKeyHMGXLHPXPOQAFQ-MNOVXSKESA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Tert-butyl-1-trimethylsilyloxy-1-cyclohexene
CID 10911276
trimethyl-[(3R,6S)-3-methyl-6-propan-2-ylcyclohexen-1-yl]oxysilane
CID 11096320
(-)-Myrtenol, TMS derivative
CID 552637
[(4R)-4-tert-butylcyclohexen-1-yl]oxy-trimethylsilane
CID 10633031
Silane, [[(4S)-4-(1,1-dimethylethyl)-1-cyclohexen-1-yl]oxy]trimethyl-
CID 11042447
Trimethyl[(3,3,4-trimethylcyclohex-1-en-1-yl)oxy]silane
CID 71331557
[(4S,6S)-4-tert-butyl-6-methylcyclohexen-1-yl]oxy-trimethylsilane
CID 134905145
[(6R)-6-tert-butylcyclohexen-1-yl]oxy-trimethylsilane
CID 134906626
[(1S,6S)-7,7-dimethyl-2-bicyclo[4.2.0]oct-2-enyl]oxy-trimethylsilane
CID 164674364
triethyl(((1S,4R,5R)-4,6,6-trimethyl-4-vinylbicyclo[3.1.1]hept-2-en-2-yl)oxy)silane
CID 167311432
alpha-Pinene, 3-trimethylsilyloxy-
CID 553315
Silane, trimethyl[[3-methyl-6-(1-methylethyl)-1-cyclohexen-1-yl]oxy]-
CID 611058

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-6,6-dimethyl-4-methylidene-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane?
The IUPAC name of [(1R,5S)-6,6-dimethyl-4-methylidene-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane (CID 162417900) is [(1R,5S)-6,6-dimethyl-4-methylidene-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane.
What is the SMILES notation for [(1R,5S)-6,6-dimethyl-4-methylidene-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane?
The canonical SMILES for [(1R,5S)-6,6-dimethyl-4-methylidene-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane is C=C1C=C(O[Si](C)(C)C)[C@@H]2C[C@H]1C2(C)C.
What is the InChIKey of [(1R,5S)-6,6-dimethyl-4-methylidene-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane?
The InChIKey is HMGXLHPXPOQAFQ-MNOVXSKESA-N. The full InChI is InChI=1S/C13H22OSi/c1-9-7-12(14-15(4,5)6)11-8-10(9)13(11,2)3/h7,10-11H,1,8H2,2-6H3/t10-,11+/m1/s1.
What are the key properties of [(1R,5S)-6,6-dimethyl-4-methylidene-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane?
[(1R,5S)-6,6-dimethyl-4-methylidene-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane has a molecular weight of 222.40 g/mol, XLogP of 3.95, 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-4-methylidene-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane is sourced from PubChem (CID 162417900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).