tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-7-ylmethoxy)silane

C13H26O2Si — CID 102504792

IUPACtert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-7-ylmethoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCC1C=CCCCO1
InChIInChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-11-12-9-7-6-8-10-14-12/h7,9,12H,6,8,10-11H2,1-5H3
InChIKeyHHQVSVBWSYGYCX-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.74
Rot. Bonds3

About tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-7-ylmethoxy)silane

tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-7-ylmethoxy)silane (PubChem CID 102504792) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-7-ylmethoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-7-ylmethoxy)silane
PubChem CID102504792
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Nametert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-7-ylmethoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCC1C=CCCCO1
InChIInChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-11-12-9-7-6-8-10-14-12/h7,9,12H,6,8,10-11H2,1-5H3
InChIKeyHHQVSVBWSYGYCX-UHFFFAOYSA-N
XLogP3.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.74
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

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tert-butyl-dimethyl-[(2,3,5-trimethyl-2H-furan-5-yl)methoxy]silane
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tert-butyl-[[(2S,5S)-3,5-dimethyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
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tert-butyl-[(6-methoxy-3,6-dihydro-2H-pyran-2-yl)methoxy]-dimethylsilane
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tert-butyl-[[(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
CID 101083171
[(1S,2R,5R)-2-but-3-enoxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 101193984
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]but-3-enoxy]-dimethylsilane
CID 101193985
tert-butyl-[[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 101768460
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-7-ylmethoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-7-ylmethoxy)silane (CID 102504792) is tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-7-ylmethoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-7-ylmethoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-7-ylmethoxy)silane is CC(C)(C)[Si](C)(C)OCC1C=CCCCO1.
What is the InChIKey of tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-7-ylmethoxy)silane?
The InChIKey is HHQVSVBWSYGYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-11-12-9-7-6-8-10-14-12/h7,9,12H,6,8,10-11H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-7-ylmethoxy)silane?
tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-7-ylmethoxy)silane has a molecular weight of 242.43 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-7-ylmethoxy)silane is sourced from PubChem (CID 102504792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).