tert-butyl-[[(1S,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]-dimethylsilane

C15H26O2Si — CID 11311659

IUPACtert-butyl-[[(1S,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]-dimethylsilane
SMILESCC1=C(O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H]2C=C[C@@H]1O2
InChIInChI=1S/C15H26O2Si/c1-10-12-8-9-13(16-12)11(2)14(10)17-18(6,7)15(3,4)5/h8-10,12-13H,1-7H3/t10-,12+,13-/m0/s1
InChIKeyDBLHCFYHPXWZIW-UHTWSYAYSA-N
MW266.46 g/mol
LogP4.26
Rot. Bonds2

About tert-butyl-[[(1S,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]-dimethylsilane

tert-butyl-[[(1S,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]-dimethylsilane (PubChem CID 11311659) has the molecular formula C15H26O2Si and a molecular weight of 266.46 g/mol. Its IUPAC name is tert-butyl-[[(1S,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]-dimethylsilane
PubChem CID11311659
Molecular FormulaC15H26O2Si
Molecular Weight266.46 g/mol
Exact Mass266.17
IUPAC Nametert-butyl-[[(1S,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]-dimethylsilane
SMILESCC1=C(O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H]2C=C[C@@H]1O2
InChIInChI=1S/C15H26O2Si/c1-10-12-8-9-13(16-12)11(2)14(10)17-18(6,7)15(3,4)5/h8-10,12-13H,1-7H3/t10-,12+,13-/m0/s1
InChIKeyDBLHCFYHPXWZIW-UHTWSYAYSA-N
XLogP4.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 54.26
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

2-(2,5-Dihydrofuran-2-yl)ethoxy-tri(propan-2-yl)silane
CID 10540004
tert-butyl-dimethyl-[[(2S,5R)-3-methyl-5-propan-2-yl-2,5-dihydrofuran-2-yl]methoxy]silane
CID 122380934
[(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]methoxy-tert-butyl-dimethylsilane
CID 134900317
[(1S,4R,5S)-4-ethenyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane
CID 139263636
tert-butyl-dimethyl-[[(2S,5S)-3-methyl-5-propan-2-yl-2,5-dihydrofuran-2-yl]methoxy]silane
CID 154712681
[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-dimethyl-[2-(5-methyl-3,6-dihydro-2H-pyran-2-yl)ethoxy]silane
CID 21986090
(R,Z)-4-(tert-Butyldimethysilyloxy)-2,3,4,7-tetrahydrooxepine
CID 25133895
Tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-4-yloxy)silane
CID 67076217
butyl-dimethyl-[2-(5-methyl-3,6-dihydro-2H-pyran-2-yl)ethoxy]silane
CID 69572108

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1S,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]-dimethylsilane (CID 11311659) is tert-butyl-[[(1S,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1S,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1S,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]-dimethylsilane is CC1=C(O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H]2C=C[C@@H]1O2.
What is the InChIKey of tert-butyl-[[(1S,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]-dimethylsilane?
The InChIKey is DBLHCFYHPXWZIW-UHTWSYAYSA-N. The full InChI is InChI=1S/C15H26O2Si/c1-10-12-8-9-13(16-12)11(2)14(10)17-18(6,7)15(3,4)5/h8-10,12-13H,1-7H3/t10-,12+,13-/m0/s1.
What are the key properties of tert-butyl-[[(1S,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]-dimethylsilane?
tert-butyl-[[(1S,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]-dimethylsilane has a molecular weight of 266.46 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]-dimethylsilane is sourced from PubChem (CID 11311659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).