trimethyl-[3-(2-phenylethyl)-2-trimethylsilyloxiran-2-yl]silane

C16H28OSi2 — CID 11380801

IUPACtrimethyl-[3-(2-phenylethyl)-2-trimethylsilyloxiran-2-yl]silane
SMILESC[Si](C)(C)C1([Si](C)(C)C)OC1CCc1ccccc1
InChIInChI=1S/C16H28OSi2/c1-18(2,3)16(19(4,5)6)15(17-16)13-12-14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3
InChIKeyNEIGOTXDNFRAFM-UHFFFAOYSA-N
MW292.57 g/mol
LogP4.51
Rot. Bonds5

About trimethyl-[3-(2-phenylethyl)-2-trimethylsilyloxiran-2-yl]silane

trimethyl-[3-(2-phenylethyl)-2-trimethylsilyloxiran-2-yl]silane (PubChem CID 11380801) has the molecular formula C16H28OSi2 and a molecular weight of 292.57 g/mol. Its IUPAC name is trimethyl-[3-(2-phenylethyl)-2-trimethylsilyloxiran-2-yl]silane.

Molecular Properties

Compound Nametrimethyl-[3-(2-phenylethyl)-2-trimethylsilyloxiran-2-yl]silane
PubChem CID11380801
Molecular FormulaC16H28OSi2
Molecular Weight292.57 g/mol
Exact Mass292.17
IUPAC Nametrimethyl-[3-(2-phenylethyl)-2-trimethylsilyloxiran-2-yl]silane
SMILESC[Si](C)(C)C1([Si](C)(C)C)OC1CCc1ccccc1
InChIInChI=1S/C16H28OSi2/c1-18(2,3)16(19(4,5)6)15(17-16)13-12-14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3
InChIKeyNEIGOTXDNFRAFM-UHFFFAOYSA-N
XLogP4.51
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.57
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(4S,5S)-2,2-dimethyl-4,5-bis(2-phenylethyl)-1,3-dioxolane
CID 15482722
(4R,6R)-2,2-dimethyl-4-(2-phenylethyl)-6-undecyl-1,3-dioxane
CID 102467906
methyl 2-[(4R,6R)-2,2-dimethyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]acetate
CID 10541678
2,5-bis(2-phenylethyl)-2,5-dihydrofuran
CID 177484094
benzene;2-phenylethylbenzene
CID 18982764
(2S,4S,6S)-5,5-dimethyl-6-(2-phenylethyl)-2-propan-2-yl-1,3-dioxan-4-ol
CID 139092192
(2S,4S)-2-butyl-2-methyl-4-(2-phenylethyl)oxetan-3-one
CID 134965849
(2S)-4-methyl-2-(2-phenylethyl)-1,3-dioxolane
CID 59041484
ethane;2-(2-phenylethyl)oxirane;propane
CID 90817072
trimethyl-[[5-methyl-5-(2-phenylethyl)-2H-furan-2-yl]methyl]silane
CID 134997416
(2S,5S)-2,5-bis(2-phenylethyl)oxolane
CID 11108749
2-(2-methylcyclopropyl)ethylbenzene
CID 15532829

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-(2-phenylethyl)-2-trimethylsilyloxiran-2-yl]silane?
The IUPAC name of trimethyl-[3-(2-phenylethyl)-2-trimethylsilyloxiran-2-yl]silane (CID 11380801) is trimethyl-[3-(2-phenylethyl)-2-trimethylsilyloxiran-2-yl]silane.
What is the SMILES notation for trimethyl-[3-(2-phenylethyl)-2-trimethylsilyloxiran-2-yl]silane?
The canonical SMILES for trimethyl-[3-(2-phenylethyl)-2-trimethylsilyloxiran-2-yl]silane is C[Si](C)(C)C1([Si](C)(C)C)OC1CCc1ccccc1.
What is the InChIKey of trimethyl-[3-(2-phenylethyl)-2-trimethylsilyloxiran-2-yl]silane?
The InChIKey is NEIGOTXDNFRAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OSi2/c1-18(2,3)16(19(4,5)6)15(17-16)13-12-14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3.
What are the key properties of trimethyl-[3-(2-phenylethyl)-2-trimethylsilyloxiran-2-yl]silane?
trimethyl-[3-(2-phenylethyl)-2-trimethylsilyloxiran-2-yl]silane has a molecular weight of 292.57 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-(2-phenylethyl)-2-trimethylsilyloxiran-2-yl]silane is sourced from PubChem (CID 11380801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).