oxan-2-yl-bis(1-phenylethoxy)silane

C21H28O3Si — CID 123971198

IUPACoxan-2-yl-bis(1-phenylethoxy)silane
SMILESCC(O[SiH](OC(C)c1ccccc1)C1CCCCO1)c1ccccc1
InChIInChI=1S/C21H28O3Si/c1-17(19-11-5-3-6-12-19)23-25(21-15-9-10-16-22-21)24-18(2)20-13-7-4-8-14-20/h3-8,11-14,17-18,21,25H,9-10,15-16H2,1-2H3
InChIKeyGDQJDZXBRVHCDY-UHFFFAOYSA-N
MW356.54 g/mol
LogP4.87
Rot. Bonds7

About oxan-2-yl-bis(1-phenylethoxy)silane

oxan-2-yl-bis(1-phenylethoxy)silane (PubChem CID 123971198) has the molecular formula C21H28O3Si and a molecular weight of 356.54 g/mol. Its IUPAC name is oxan-2-yl-bis(1-phenylethoxy)silane.

Molecular Properties

Compound Nameoxan-2-yl-bis(1-phenylethoxy)silane
PubChem CID123971198
Molecular FormulaC21H28O3Si
Molecular Weight356.54 g/mol
Exact Mass356.18
IUPAC Nameoxan-2-yl-bis(1-phenylethoxy)silane
SMILESCC(O[SiH](OC(C)c1ccccc1)C1CCCCO1)c1ccccc1
InChIInChI=1S/C21H28O3Si/c1-17(19-11-5-3-6-12-19)23-25(21-15-9-10-16-22-21)24-18(2)20-13-7-4-8-14-20/h3-8,11-14,17-18,21,25H,9-10,15-16H2,1-2H3
InChIKeyGDQJDZXBRVHCDY-UHFFFAOYSA-N
XLogP4.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

oxan-2-yl-bis(2-phenylpropyl)silane
CID 173275446
cumene;2-methyloxane
CID 156699052
dimethoxy(oxan-2-yl)silane
CID 123986138
2-methyl-N-(oxan-2-ylmethyl)-1-phenylpropan-1-amine
CID 54940930
(2S)-2-[(1S)-1-phenylethyl]oxolane
CID 118374007
1-phenylethoxy-di(propan-2-yl)silane
CID 173140132
N-methyl-1-(oxan-2-yl)-1-phenylmethanamine
CID 62213165
1-(cyclopentylmethoxy)ethylbenzene
CID 90167891
2-methyl-N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]propan-1-amine
CID 62445664
(2S)-2-[(1S)-2-methyl-1-phenylpropyl]oxolane
CID 118371657
ethane;[(2S)-oxan-2-yl]methoxy-phenylmethanol
CID 143051501
benzhydryloxy-cyclopentyl-methoxysilane
CID 151692747

Frequently Asked Questions

What is the IUPAC name of oxan-2-yl-bis(1-phenylethoxy)silane?
The IUPAC name of oxan-2-yl-bis(1-phenylethoxy)silane (CID 123971198) is oxan-2-yl-bis(1-phenylethoxy)silane.
What is the SMILES notation for oxan-2-yl-bis(1-phenylethoxy)silane?
The canonical SMILES for oxan-2-yl-bis(1-phenylethoxy)silane is CC(O[SiH](OC(C)c1ccccc1)C1CCCCO1)c1ccccc1.
What is the InChIKey of oxan-2-yl-bis(1-phenylethoxy)silane?
The InChIKey is GDQJDZXBRVHCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O3Si/c1-17(19-11-5-3-6-12-19)23-25(21-15-9-10-16-22-21)24-18(2)20-13-7-4-8-14-20/h3-8,11-14,17-18,21,25H,9-10,15-16H2,1-2H3.
What are the key properties of oxan-2-yl-bis(1-phenylethoxy)silane?
oxan-2-yl-bis(1-phenylethoxy)silane has a molecular weight of 356.54 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl-bis(1-phenylethoxy)silane is sourced from PubChem (CID 123971198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).