tert-butyl-dimethyl-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)oxy]silane

C12H24O2Si — CID 102070368

IUPACtert-butyl-dimethyl-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)oxy]silane
SMILESCC1=C(O[Si](C)(C)C(C)(C)C)OCCC1
InChIInChI=1S/C12H24O2Si/c1-10-8-7-9-13-11(10)14-15(5,6)12(2,3)4/h7-9H2,1-6H3
InChIKeyKPYQYUQVEDFADS-UHFFFAOYSA-N
MW228.41 g/mol
LogP4.05
Rot. Bonds2

About tert-butyl-dimethyl-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)oxy]silane

tert-butyl-dimethyl-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)oxy]silane (PubChem CID 102070368) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)oxy]silane
PubChem CID102070368
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nametert-butyl-dimethyl-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)oxy]silane
SMILESCC1=C(O[Si](C)(C)C(C)(C)C)OCCC1
InChIInChI=1S/C12H24O2Si/c1-10-8-7-9-13-11(10)14-15(5,6)12(2,3)4/h7-9H2,1-6H3
InChIKeyKPYQYUQVEDFADS-UHFFFAOYSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)oxy]silane (CID 102070368) is tert-butyl-dimethyl-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)oxy]silane is CC1=C(O[Si](C)(C)C(C)(C)C)OCCC1.
What is the InChIKey of tert-butyl-dimethyl-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)oxy]silane?
The InChIKey is KPYQYUQVEDFADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-10-8-7-9-13-11(10)14-15(5,6)12(2,3)4/h7-9H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)oxy]silane?
tert-butyl-dimethyl-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)oxy]silane has a molecular weight of 228.41 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)oxy]silane is sourced from PubChem (CID 102070368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).