triethyl-[[(1S,4R,5S)-4-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy]silane

C12H22O2Si — CID 139263633

IUPACtriethyl-[[(1S,4R,5S)-4-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy]silane
SMILESCC[Si](CC)(CC)OC1=C[C@@H](C)[C@@H]2O[C@H]12
InChIInChI=1S/C12H22O2Si/c1-5-15(6-2,7-3)14-10-8-9(4)11-12(10)13-11/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/m1/s1
InChIKeyIHBBGKGMPYGTRV-ADEWGFFLSA-N
MW226.39 g/mol
LogP3.31
Rot. Bonds5

About triethyl-[[(1S,4R,5S)-4-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy]silane

triethyl-[[(1S,4R,5S)-4-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy]silane (PubChem CID 139263633) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is triethyl-[[(1S,4R,5S)-4-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy]silane.

Molecular Properties

Compound Nametriethyl-[[(1S,4R,5S)-4-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy]silane
PubChem CID139263633
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Nametriethyl-[[(1S,4R,5S)-4-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy]silane
SMILESCC[Si](CC)(CC)OC1=C[C@@H](C)[C@@H]2O[C@H]12
InChIInChI=1S/C12H22O2Si/c1-5-15(6-2,7-3)14-10-8-9(4)11-12(10)13-11/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/m1/s1
InChIKeyIHBBGKGMPYGTRV-ADEWGFFLSA-N
XLogP3.31
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[[(1S,6S)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 134889932
trimethyl-[[(1S,6S)-6-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 134889954
trimethyl-[[(1S,5R,6S)-5-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 135046184
[(1S,4R,5S)-4-butyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane
CID 139263634
[(1S,4S,5S)-4-tert-butyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane
CID 139263635
[(1S,4R,5S)-4-ethenyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane
CID 139263636
Trimethyl(7-oxabicyclo[4.1.0]hept-2-en-2-yloxy)silane
CID 11084546
Trimethyl-[(1-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]silane
CID 12771792
Tert-butyl-dimethyl-(4-oxaspiro[2.5]oct-6-en-7-yloxy)silane
CID 172244006
Tert-butyl-dimethyl-[(2-methyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy]silane
CID 10015202
Trimethyl-[(2-methyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy]silane
CID 10398284
Trimethyl-[(6-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]silane
CID 12771787

Frequently Asked Questions

What is the IUPAC name of triethyl-[[(1S,4R,5S)-4-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy]silane?
The IUPAC name of triethyl-[[(1S,4R,5S)-4-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy]silane (CID 139263633) is triethyl-[[(1S,4R,5S)-4-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy]silane.
What is the SMILES notation for triethyl-[[(1S,4R,5S)-4-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy]silane?
The canonical SMILES for triethyl-[[(1S,4R,5S)-4-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy]silane is CC[Si](CC)(CC)OC1=C[C@@H](C)[C@@H]2O[C@H]12.
What is the InChIKey of triethyl-[[(1S,4R,5S)-4-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy]silane?
The InChIKey is IHBBGKGMPYGTRV-ADEWGFFLSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-5-15(6-2,7-3)14-10-8-9(4)11-12(10)13-11/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/m1/s1.
What are the key properties of triethyl-[[(1S,4R,5S)-4-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy]silane?
triethyl-[[(1S,4R,5S)-4-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy]silane has a molecular weight of 226.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[[(1S,4R,5S)-4-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy]silane is sourced from PubChem (CID 139263633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).