[(1S,6S)-7,7-dimethyl-2-bicyclo[4.2.0]oct-2-enyl]oxy-trimethylsilane

C13H24OSi — CID 164674364

IUPAC[(1S,6S)-7,7-dimethyl-2-bicyclo[4.2.0]oct-2-enyl]oxy-trimethylsilane
SMILESCC1(C)C[C@@H]2C(O[Si](C)(C)C)=CCC[C@@H]21
InChIInChI=1S/C13H24OSi/c1-13(2)9-10-11(13)7-6-8-12(10)14-15(3,4)5/h8,10-11H,6-7,9H2,1-5H3/t10-,11-/m0/s1
InChIKeyRTJLAGBCBWFCBW-QWRGUYRKSA-N
MW224.42 g/mol
LogP4.18
Rot. Bonds2

About [(1S,6S)-7,7-dimethyl-2-bicyclo[4.2.0]oct-2-enyl]oxy-trimethylsilane

[(1S,6S)-7,7-dimethyl-2-bicyclo[4.2.0]oct-2-enyl]oxy-trimethylsilane (PubChem CID 164674364) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is [(1S,6S)-7,7-dimethyl-2-bicyclo[4.2.0]oct-2-enyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1S,6S)-7,7-dimethyl-2-bicyclo[4.2.0]oct-2-enyl]oxy-trimethylsilane
PubChem CID164674364
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name[(1S,6S)-7,7-dimethyl-2-bicyclo[4.2.0]oct-2-enyl]oxy-trimethylsilane
SMILESCC1(C)C[C@@H]2C(O[Si](C)(C)C)=CCC[C@@H]21
InChIInChI=1S/C13H24OSi/c1-13(2)9-10-11(13)7-6-8-12(10)14-15(3,4)5/h8,10-11H,6-7,9H2,1-5H3/t10-,11-/m0/s1
InChIKeyRTJLAGBCBWFCBW-QWRGUYRKSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 54.18
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
[(1E,3S,7R)-3,7-dimethylcycloocten-1-yl]oxy-trimethylsilane
CID 10585376
trimethyl-[(3R,6S)-3-methyl-6-propan-2-ylcyclohexen-1-yl]oxysilane
CID 11096320
[3-[2-(Cyclohexen-1-yl)ethyl]-3-methylcyclopenten-1-yl]oxy-trimethylsilane
CID 21593729
[(4R)-4-tert-butylcyclohexen-1-yl]oxy-trimethylsilane
CID 10633031
Silane, [[(4S)-4-(1,1-dimethylethyl)-1-cyclohexen-1-yl]oxy]trimethyl-
CID 11042447
[(1E,3R,7R)-3,7-dimethylcycloocten-1-yl]oxy-trimethylsilane
CID 11276214
trimethyl-[(3R,4R)-3-methyl-3-[2-[(1S)-1-methylcyclohex-2-en-1-yl]ethyl]-4-propan-2-ylcyclopenten-1-yl]oxysilane
CID 11984323
Trimethyl-(3-methyl-3-propylcyclohexen-1-yl)oxysilane
CID 13683352
Trimethyl[(3,3,4-trimethylcyclohex-1-en-1-yl)oxy]silane
CID 71331557
((3-(Tert-butyl)cyclohex-1-en-1-yl)oxy)triethylsilane
CID 101998066
[(4S,6S)-4-tert-butyl-6-methylcyclohexen-1-yl]oxy-trimethylsilane
CID 134905145

Frequently Asked Questions

What is the IUPAC name of [(1S,6S)-7,7-dimethyl-2-bicyclo[4.2.0]oct-2-enyl]oxy-trimethylsilane?
The IUPAC name of [(1S,6S)-7,7-dimethyl-2-bicyclo[4.2.0]oct-2-enyl]oxy-trimethylsilane (CID 164674364) is [(1S,6S)-7,7-dimethyl-2-bicyclo[4.2.0]oct-2-enyl]oxy-trimethylsilane.
What is the SMILES notation for [(1S,6S)-7,7-dimethyl-2-bicyclo[4.2.0]oct-2-enyl]oxy-trimethylsilane?
The canonical SMILES for [(1S,6S)-7,7-dimethyl-2-bicyclo[4.2.0]oct-2-enyl]oxy-trimethylsilane is CC1(C)C[C@@H]2C(O[Si](C)(C)C)=CCC[C@@H]21.
What is the InChIKey of [(1S,6S)-7,7-dimethyl-2-bicyclo[4.2.0]oct-2-enyl]oxy-trimethylsilane?
The InChIKey is RTJLAGBCBWFCBW-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H24OSi/c1-13(2)9-10-11(13)7-6-8-12(10)14-15(3,4)5/h8,10-11H,6-7,9H2,1-5H3/t10-,11-/m0/s1.
What are the key properties of [(1S,6S)-7,7-dimethyl-2-bicyclo[4.2.0]oct-2-enyl]oxy-trimethylsilane?
[(1S,6S)-7,7-dimethyl-2-bicyclo[4.2.0]oct-2-enyl]oxy-trimethylsilane has a molecular weight of 224.42 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6S)-7,7-dimethyl-2-bicyclo[4.2.0]oct-2-enyl]oxy-trimethylsilane is sourced from PubChem (CID 164674364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).