[2-[bis[(2-dimethylsilyloxan-2-yl)oxy]-phenylmethoxy]oxan-2-yl]-dimethylsilane

C28H50O6Si3 — CID 173422529

IUPAC[2-[bis[(2-dimethylsilyloxan-2-yl)oxy]-phenylmethoxy]oxan-2-yl]-dimethylsilane
SMILESC[SiH](C)C1(OC(OC2([SiH](C)C)CCCCO2)(OC2([SiH](C)C)CCCCO2)c2ccccc2)CCCCO1
InChIInChI=1S/C28H50O6Si3/c1-35(2)25(18-10-13-21-29-25)32-28(24-16-8-7-9-17-24,33-26(36(3)4)19-11-14-22-30-26)34-27(37(5)6)20-12-15-23-31-27/h7-9,16-17,35-37H,10-15,18-23H2,1-6H3
InChIKeyTUFFJHOBLQRNQC-UHFFFAOYSA-N
MW566.96 g/mol
LogP5.61
Rot. Bonds10

About [2-[bis[(2-dimethylsilyloxan-2-yl)oxy]-phenylmethoxy]oxan-2-yl]-dimethylsilane

[2-[bis[(2-dimethylsilyloxan-2-yl)oxy]-phenylmethoxy]oxan-2-yl]-dimethylsilane (PubChem CID 173422529) has the molecular formula C28H50O6Si3 and a molecular weight of 566.96 g/mol. Its IUPAC name is [2-[bis[(2-dimethylsilyloxan-2-yl)oxy]-phenylmethoxy]oxan-2-yl]-dimethylsilane.

Molecular Properties

Compound Name[2-[bis[(2-dimethylsilyloxan-2-yl)oxy]-phenylmethoxy]oxan-2-yl]-dimethylsilane
PubChem CID173422529
Molecular FormulaC28H50O6Si3
Molecular Weight566.96 g/mol
Exact Mass566.29
IUPAC Name[2-[bis[(2-dimethylsilyloxan-2-yl)oxy]-phenylmethoxy]oxan-2-yl]-dimethylsilane
SMILESC[SiH](C)C1(OC(OC2([SiH](C)C)CCCCO2)(OC2([SiH](C)C)CCCCO2)c2ccccc2)CCCCO1
InChIInChI=1S/C28H50O6Si3/c1-35(2)25(18-10-13-21-29-25)32-28(24-16-8-7-9-17-24,33-26(36(3)4)19-11-14-22-30-26)34-27(37(5)6)20-12-15-23-31-27/h7-9,16-17,35-37H,10-15,18-23H2,1-6H3
InChIKeyTUFFJHOBLQRNQC-UHFFFAOYSA-N
XLogP5.61
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.96
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

dimethyl-[2-[methyl-[2-(4-methylphenyl)ethyl]silyl]oxyoxan-2-yl]silane
CID 173451898
dimethoxy-(2-phenyloxan-2-yl)silane
CID 174844797
2-[1-(2-phenylpropan-2-yl)cyclohexyl]propan-2-ylbenzene
CID 175137284
triethoxy-(2-phenyloxan-2-yl)silane
CID 175435883
2-dimethylsilyloxane-2-thiol
CID 123513196
methyl-[2-(4-phenoxyphenyl)oxan-2-yl]silane
CID 174554209
(2-phenyloxan-2-yl)silane
CID 123975784
2-methyl-2-(4-methylphenyl)oxane
CID 132966146
2,2-bis(phenylsulfanyl)oxane
CID 14100930
[2-(2-diphenylsilyloxan-2-yl)oxan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane
CID 173177427
(6S)-8,8-diphenyl-1,7-dioxaspiro[5.6]dodecane
CID 102454041
[hydroperoxy(dimethoxy)methyl]benzene
CID 58623589

Frequently Asked Questions

What is the IUPAC name of [2-[bis[(2-dimethylsilyloxan-2-yl)oxy]-phenylmethoxy]oxan-2-yl]-dimethylsilane?
The IUPAC name of [2-[bis[(2-dimethylsilyloxan-2-yl)oxy]-phenylmethoxy]oxan-2-yl]-dimethylsilane (CID 173422529) is [2-[bis[(2-dimethylsilyloxan-2-yl)oxy]-phenylmethoxy]oxan-2-yl]-dimethylsilane.
What is the SMILES notation for [2-[bis[(2-dimethylsilyloxan-2-yl)oxy]-phenylmethoxy]oxan-2-yl]-dimethylsilane?
The canonical SMILES for [2-[bis[(2-dimethylsilyloxan-2-yl)oxy]-phenylmethoxy]oxan-2-yl]-dimethylsilane is C[SiH](C)C1(OC(OC2([SiH](C)C)CCCCO2)(OC2([SiH](C)C)CCCCO2)c2ccccc2)CCCCO1.
What is the InChIKey of [2-[bis[(2-dimethylsilyloxan-2-yl)oxy]-phenylmethoxy]oxan-2-yl]-dimethylsilane?
The InChIKey is TUFFJHOBLQRNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50O6Si3/c1-35(2)25(18-10-13-21-29-25)32-28(24-16-8-7-9-17-24,33-26(36(3)4)19-11-14-22-30-26)34-27(37(5)6)20-12-15-23-31-27/h7-9,16-17,35-37H,10-15,18-23H2,1-6H3.
What are the key properties of [2-[bis[(2-dimethylsilyloxan-2-yl)oxy]-phenylmethoxy]oxan-2-yl]-dimethylsilane?
[2-[bis[(2-dimethylsilyloxan-2-yl)oxy]-phenylmethoxy]oxan-2-yl]-dimethylsilane has a molecular weight of 566.96 g/mol, XLogP of 5.61, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis[(2-dimethylsilyloxan-2-yl)oxy]-phenylmethoxy]oxan-2-yl]-dimethylsilane is sourced from PubChem (CID 173422529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).