trimethyl-[[(1S,6S)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane

C9H16O2Si — CID 134889932

IUPACtrimethyl-[[(1S,6S)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
SMILESC[Si](C)(C)OC1=CCC[C@@H]2O[C@H]12
InChIInChI=1S/C9H16O2Si/c1-12(2,3)11-8-6-4-5-7-9(8)10-7/h6-7,9H,4-5H2,1-3H3/t7-,9-/m0/s1
InChIKeyBEBDSDFTBRVUDI-CBAPKCEASA-N
MW184.31 g/mol
LogP2.28
Rot. Bonds2

About trimethyl-[[(1S,6S)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane

trimethyl-[[(1S,6S)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane (PubChem CID 134889932) has the molecular formula C9H16O2Si and a molecular weight of 184.31 g/mol. Its IUPAC name is trimethyl-[[(1S,6S)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[(1S,6S)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
PubChem CID134889932
Molecular FormulaC9H16O2Si
Molecular Weight184.31 g/mol
Exact Mass184.09
IUPAC Nametrimethyl-[[(1S,6S)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
SMILESC[Si](C)(C)OC1=CCC[C@@H]2O[C@H]12
InChIInChI=1S/C9H16O2Si/c1-12(2,3)11-8-6-4-5-7-9(8)10-7/h6-7,9H,4-5H2,1-3H3/t7-,9-/m0/s1
InChIKeyBEBDSDFTBRVUDI-CBAPKCEASA-N
XLogP2.28
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.28
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

tert-butyl-dimethyl-[[(1S,6R)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]methoxy]silane
CID 11241934
Tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]hept-2-en-2-ylmethoxy)silane
CID 12002929
Trimethyl[(8-oxabicyclo[3.2.1]oct-2-en-3-yl)oxy]silane
CID 21727872
trimethyl-[[(1S,6S)-6-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 134889954
trimethyl-[[(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 134939463
trimethyl-[[(1S,5R,6S)-5-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 135046184
triethyl-[[(1S,4R,5S)-4-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy]silane
CID 139263633
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
trimethyl-[[(1R,5S)-8-oxabicyclo[3.2.1]oct-2-en-3-yl]oxy]silane
CID 10081462
1-Trimethylsilyloxy-6-(s)-methoxy-1-cyclohexene
CID 10987281
(6-Methoxycyclohexen-1-yl)oxy-trimethylsilane
CID 12476675

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(1S,6S)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane?
The IUPAC name of trimethyl-[[(1S,6S)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane (CID 134889932) is trimethyl-[[(1S,6S)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane.
What is the SMILES notation for trimethyl-[[(1S,6S)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane?
The canonical SMILES for trimethyl-[[(1S,6S)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane is C[Si](C)(C)OC1=CCC[C@@H]2O[C@H]12.
What is the InChIKey of trimethyl-[[(1S,6S)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane?
The InChIKey is BEBDSDFTBRVUDI-CBAPKCEASA-N. The full InChI is InChI=1S/C9H16O2Si/c1-12(2,3)11-8-6-4-5-7-9(8)10-7/h6-7,9H,4-5H2,1-3H3/t7-,9-/m0/s1.
What are the key properties of trimethyl-[[(1S,6S)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane?
trimethyl-[[(1S,6S)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane has a molecular weight of 184.31 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(1S,6S)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane is sourced from PubChem (CID 134889932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).