[(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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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).