tert-butyl-dimethyl-(7-oxabicyclo[2.2.1]hept-2-en-2-yloxy)silane

C12H22O2Si — CID 23254712

IUPACtert-butyl-dimethyl-(7-oxabicyclo[2.2.1]hept-2-en-2-yloxy)silane
SMILESCC(C)(C)[Si](C)(C)OC1=CC2CCC1O2
InChIInChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-11-8-9-6-7-10(11)13-9/h8-10H,6-7H2,1-5H3
InChIKeyCBVGBHMDZRXJBZ-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.45
Rot. Bonds2

About tert-butyl-dimethyl-(7-oxabicyclo[2.2.1]hept-2-en-2-yloxy)silane

tert-butyl-dimethyl-(7-oxabicyclo[2.2.1]hept-2-en-2-yloxy)silane (PubChem CID 23254712) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is tert-butyl-dimethyl-(7-oxabicyclo[2.2.1]hept-2-en-2-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(7-oxabicyclo[2.2.1]hept-2-en-2-yloxy)silane
PubChem CID23254712
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Nametert-butyl-dimethyl-(7-oxabicyclo[2.2.1]hept-2-en-2-yloxy)silane
SMILESCC(C)(C)[Si](C)(C)OC1=CC2CCC1O2
InChIInChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-11-8-9-6-7-10(11)13-9/h8-10H,6-7H2,1-5H3
InChIKeyCBVGBHMDZRXJBZ-UHFFFAOYSA-N
XLogP3.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 14483578
Tert-butyl-dimethyl-[(5-prop-2-enoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)methoxy]silane
CID 72682513
1-Trimethylsilyloxy-6-(s)-methoxy-1-cyclohexene
CID 10987281
(6-Methoxycyclohexen-1-yl)oxy-trimethylsilane
CID 12476675
Ethoxy-diethyl-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)silane
CID 69884659
CID 69884661
CID 69884661
tert-butyl-dimethyl-[[(1R,4R,5R)-5-prop-2-enoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl]methoxy]silane
CID 60203813
[(6R)-6-methoxycyclohexen-1-yl]oxy-trimethylsilane
CID 101698761
tert-butyl-dimethyl-[(1S)-1-[(2S)-5-[(E)-prop-1-enyl]oxolan-2-yl]pentoxy]silane
CID 102021073
tert-butyl-[[(5S)-1,6-dioxaspiro[4.5]dec-8-en-10-yl]oxy]-dimethylsilane
CID 102374819
[(2S,3aR,7aR)-3,3a,5,7a-tetrahydro-2H-furo[3,2-b]pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 102460121
tert-butyl-dimethyl-[(1S)-1-[(2S,6R)-6-[(2S,5S)-5-(1-trimethylstannylethenyl)oxolan-2-yl]-3,6-dihydro-2H-pyran-2-yl]but-3-enoxy]silane
CID 177517286

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(7-oxabicyclo[2.2.1]hept-2-en-2-yloxy)silane?
The IUPAC name of tert-butyl-dimethyl-(7-oxabicyclo[2.2.1]hept-2-en-2-yloxy)silane (CID 23254712) is tert-butyl-dimethyl-(7-oxabicyclo[2.2.1]hept-2-en-2-yloxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(7-oxabicyclo[2.2.1]hept-2-en-2-yloxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(7-oxabicyclo[2.2.1]hept-2-en-2-yloxy)silane is CC(C)(C)[Si](C)(C)OC1=CC2CCC1O2.
What is the InChIKey of tert-butyl-dimethyl-(7-oxabicyclo[2.2.1]hept-2-en-2-yloxy)silane?
The InChIKey is CBVGBHMDZRXJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-11-8-9-6-7-10(11)13-9/h8-10H,6-7H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(7-oxabicyclo[2.2.1]hept-2-en-2-yloxy)silane?
tert-butyl-dimethyl-(7-oxabicyclo[2.2.1]hept-2-en-2-yloxy)silane has a molecular weight of 226.39 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(7-oxabicyclo[2.2.1]hept-2-en-2-yloxy)silane is sourced from PubChem (CID 23254712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).