tert-butyl-dimethyl-[[(1S,5S)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]silane

C13H22O2Si — CID 101132068

IUPACtert-butyl-dimethyl-[[(1S,5S)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)OC1=C[C@@H]2C=C[C@H](C1)O2
InChIInChI=1S/C13H22O2Si/c1-13(2,3)16(4,5)15-12-8-10-6-7-11(9-12)14-10/h6-8,10-11H,9H2,1-5H3/t10-,11+/m0/s1
InChIKeyRADQGRFZSIYANR-WDEREUQCSA-N
MW238.40 g/mol
LogP3.62
Rot. Bonds2

About tert-butyl-dimethyl-[[(1S,5S)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]silane

tert-butyl-dimethyl-[[(1S,5S)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]silane (PubChem CID 101132068) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,5S)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,5S)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]silane
PubChem CID101132068
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Nametert-butyl-dimethyl-[[(1S,5S)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)OC1=C[C@@H]2C=C[C@H](C1)O2
InChIInChI=1S/C13H22O2Si/c1-13(2,3)16(4,5)15-12-8-10-6-7-11(9-12)14-10/h6-8,10-11H,9H2,1-5H3/t10-,11+/m0/s1
InChIKeyRADQGRFZSIYANR-WDEREUQCSA-N
XLogP3.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyl(dimethyl){[(1R,3s,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy}silane
CID 11333927
2-(2,5-Dihydrofuran-2-yl)ethoxy-tri(propan-2-yl)silane
CID 10540004
Tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-7-ylmethoxy)silane
CID 102504792
tert-butyl-[(1S)-1-(3-methoxy-2,5-dihydrofuran-2-yl)ethoxy]-dimethylsilane
CID 134836061
(3-Methoxycyclohexa-1,4-dien-1-yl)oxy-dimethyl-propan-2-ylsilane
CID 134906247
Tert-butyl-(3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane
CID 134906464
tert-butyl-[[(2S,5S)-5-ethyl-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 154711795
[2-(Ethoxymethyl)cyclohexa-1,3-dien-1-yl]oxy-triethylsilane
CID 176427842
triethyl-[[(1R,5R)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]silane
CID 10657595
tert-butyl-dimethyl-[[(1R,2R,5S)-3-triethylsilyloxy-8-oxabicyclo[3.2.1]octa-3,6-dien-2-yl]oxy]silane
CID 11257174
tert-butyl-[(1S)-1-[(2S)-3-methoxy-2,5-dihydrofuran-2-yl]ethoxy]-dimethylsilane
CID 102055862
tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 10728073

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1S,5S)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,5S)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]silane (CID 101132068) is tert-butyl-dimethyl-[[(1S,5S)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,5S)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,5S)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]silane is CC(C)(C)[Si](C)(C)OC1=C[C@@H]2C=C[C@H](C1)O2.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,5S)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]silane?
The InChIKey is RADQGRFZSIYANR-WDEREUQCSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-13(2,3)16(4,5)15-12-8-10-6-7-11(9-12)14-10/h6-8,10-11H,9H2,1-5H3/t10-,11+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(1S,5S)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]silane?
tert-butyl-dimethyl-[[(1S,5S)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]silane has a molecular weight of 238.40 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1S,5S)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]silane is sourced from PubChem (CID 101132068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).