tert-butyl-dimethyl-[1-(oxiran-2-yl)propoxy]silane

C11H24O2Si — CID 87130449

IUPACtert-butyl-dimethyl-[1-(oxiran-2-yl)propoxy]silane
SMILESCCC(O[Si](C)(C)C(C)(C)C)C1CO1
InChIInChI=1S/C11H24O2Si/c1-7-9(10-8-12-10)13-14(5,6)11(2,3)4/h9-10H,7-8H2,1-6H3
InChIKeyBCOPOYKNWBHQHF-UHFFFAOYSA-N
MW216.40 g/mol
LogP3.19
Rot. Bonds4

About tert-butyl-dimethyl-[1-(oxiran-2-yl)propoxy]silane

tert-butyl-dimethyl-[1-(oxiran-2-yl)propoxy]silane (PubChem CID 87130449) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1-(oxiran-2-yl)propoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[1-(oxiran-2-yl)propoxy]silane
PubChem CID87130449
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Nametert-butyl-dimethyl-[1-(oxiran-2-yl)propoxy]silane
SMILESCCC(O[Si](C)(C)C(C)(C)C)C1CO1
InChIInChI=1S/C11H24O2Si/c1-7-9(10-8-12-10)13-14(5,6)11(2,3)4/h9-10H,7-8H2,1-6H3
InChIKeyBCOPOYKNWBHQHF-UHFFFAOYSA-N
XLogP3.19
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]propoxy]silane
CID 87355723
tert-butyl-[(1S)-1-[(2R)-3,4-dihydro-2H-pyran-2-yl]propoxy]-dimethylsilane
CID 124635026
tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethoxy]silane
CID 87356118
butyl-dimethyl-[(1R)-1-(oxiran-2-yl)propoxy]silane
CID 87356487
tert-butyl-dimethyl-[(1R)-1-[(2R)-oxiran-2-yl]-2-phenylmethoxyethoxy]silane
CID 11162635
tert-butyl-[(1R)-2-[(4-methoxyphenyl)methoxy]-1-[(2R)-oxiran-2-yl]ethoxy]-dimethylsilane
CID 11393604
(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-en-1-ol
CID 46187581
tert-butyl-dimethyl-[(1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-ynoxy]silane
CID 10946011
tert-butyl-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2R)-oxiran-2-yl]ethoxy]-dimethylsilane
CID 56589789
(4S)-4-[(2R,7S)-7-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3,6,7-tetrahydrooxepin-2-yl]-4-hydroxybutanenitrile
CID 138984374
butan-2-yloxy-tert-butyl-dimethylsilane;methane
CID 158755840
tert-butyl-(1-chloropropoxy)-dimethylsilane
CID 23216108

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[1-(oxiran-2-yl)propoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[1-(oxiran-2-yl)propoxy]silane (CID 87130449) is tert-butyl-dimethyl-[1-(oxiran-2-yl)propoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[1-(oxiran-2-yl)propoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[1-(oxiran-2-yl)propoxy]silane is CCC(O[Si](C)(C)C(C)(C)C)C1CO1.
What is the InChIKey of tert-butyl-dimethyl-[1-(oxiran-2-yl)propoxy]silane?
The InChIKey is BCOPOYKNWBHQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-7-9(10-8-12-10)13-14(5,6)11(2,3)4/h9-10H,7-8H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[1-(oxiran-2-yl)propoxy]silane?
tert-butyl-dimethyl-[1-(oxiran-2-yl)propoxy]silane has a molecular weight of 216.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[1-(oxiran-2-yl)propoxy]silane is sourced from PubChem (CID 87130449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).