[4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyloxan-2-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane

C44H96O7Si5 — CID 91506166

IUPAC[4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyloxan-2-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
SMILESCC1C(CO[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)CC1O[Si](C)(C)C(C)(C)C.CC1C(O[Si](C)(C)C(C)(C)C)C=COC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H56O4Si3.C19H40O3Si2/c1-19-20(28-31(13,14)24(5,6)7)17-22(29-32(15,16)25(8,9)10)27-21(19)18-26-30(11,12)23(2,3)4;1-15-16(22-24(10,11)19(5,6)7)12-13-20-17(15)14-21-23(8,9)18(2,3)4/h19-22H,17-18H2,1-16H3;12-13,15-17H,14H2,1-11H3
InChIKeyXVWGBXAIDNEUMQ-UHFFFAOYSA-N
MW877.67 g/mol
LogP14.12
Rot. Bonds12

About [4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyloxan-2-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane

[4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyloxan-2-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane (PubChem CID 91506166) has the molecular formula C44H96O7Si5 and a molecular weight of 877.67 g/mol. Its IUPAC name is [4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyloxan-2-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Name[4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyloxan-2-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
PubChem CID91506166
Molecular FormulaC44H96O7Si5
Molecular Weight877.67 g/mol
Exact Mass876.60
IUPAC Name[4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyloxan-2-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
SMILESCC1C(CO[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)CC1O[Si](C)(C)C(C)(C)C.CC1C(O[Si](C)(C)C(C)(C)C)C=COC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H56O4Si3.C19H40O3Si2/c1-19-20(28-31(13,14)24(5,6)7)17-22(29-32(15,16)25(8,9)10)27-21(19)18-26-30(11,12)23(2,3)4;1-15-16(22-24(10,11)19(5,6)7)12-13-20-17(15)14-21-23(8,9)18(2,3)4/h19-22H,17-18H2,1-16H3;12-13,15-17H,14H2,1-11H3
InChIKeyXVWGBXAIDNEUMQ-UHFFFAOYSA-N
XLogP14.12
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.67
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 [4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyloxan-2-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The IUPAC name of [4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyloxan-2-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane (CID 91506166) is [4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyloxan-2-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for [4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyloxan-2-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for [4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyloxan-2-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane is CC1C(CO[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)CC1O[Si](C)(C)C(C)(C)C.CC1C(O[Si](C)(C)C(C)(C)C)C=COC1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyloxan-2-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The InChIKey is XVWGBXAIDNEUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H56O4Si3.C19H40O3Si2/c1-19-20(28-31(13,14)24(5,6)7)17-22(29-32(15,16)25(8,9)10)27-21(19)18-26-30(11,12)23(2,3)4;1-15-16(22-24(10,11)19(5,6)7)12-13-20-17(15)14-21-23(8,9)18(2,3)4/h19-22H,17-18H2,1-16H3;12-13,15-17H,14H2,1-11H3.
What are the key properties of [4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyloxan-2-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
[4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyloxan-2-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane has a molecular weight of 877.67 g/mol, XLogP of 14.12, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyloxan-2-yl]methoxy-tert-butyl-dimethylsilane;tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 91506166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).