[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;hydron;6-(hydroxymethyl)-5-methyloxane-2,4-diol;triphenylphosphane;hydrobromide

C69H127BrO11PSi5+ — CID 160966345

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;hydron;6-(hydroxymethyl)-5-methyloxane-2,4-diol;triphenylphosphane;hydrobromide
SMILESBr.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)CC(O)OC1CO.CC1C(O[Si](C)(C)C(C)(C)C)C=COC1CO[Si](C)(C)C(C)(C)C.[H+].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H56O4Si3.C19H40O3Si2.C18H15P.C7H14O4.BrH/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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-5(9)2-7(10)11-6(4)3-8;/h19-22H,17-18H2,1-16H3;12-13,15-17H,14H2,1-11H3;1-15H;4-10H,2-3H2,1H3;1H/p+1
InChIKeyRGTXDXPFVDNJTC-UHFFFAOYSA-O
MW1384.07 g/mol
LogP17.34
Rot. Bonds16

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;hydron;6-(hydroxymethyl)-5-methyloxane-2,4-diol;triphenylphosphane;hydrobromide

[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;hydron;6-(hydroxymethyl)-5-methyloxane-2,4-diol;triphenylphosphane;hydrobromide (PubChem CID 160966345) has the molecular formula C69H127BrO11PSi5+ and a molecular weight of 1384.07 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;hydron;6-(hydroxymethyl)-5-methyloxane-2,4-diol;triphenylphosphane;hydrobromide.

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;hydron;6-(hydroxymethyl)-5-methyloxane-2,4-diol;triphenylphosphane;hydrobromide
PubChem CID160966345
Molecular FormulaC69H127BrO11PSi5+
Molecular Weight1384.07 g/mol
Exact Mass1381.71
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;hydron;6-(hydroxymethyl)-5-methyloxane-2,4-diol;triphenylphosphane;hydrobromide
SMILESBr.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)CC(O)OC1CO.CC1C(O[Si](C)(C)C(C)(C)C)C=COC1CO[Si](C)(C)C(C)(C)C.[H+].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H56O4Si3.C19H40O3Si2.C18H15P.C7H14O4.BrH/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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-5(9)2-7(10)11-6(4)3-8;/h19-22H,17-18H2,1-16H3;12-13,15-17H,14H2,1-11H3;1-15H;4-10H,2-3H2,1H3;1H/p+1
InChIKeyRGTXDXPFVDNJTC-UHFFFAOYSA-O
XLogP17.34
TPSA134.53 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001384.07
LogP ≤ 517.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', '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;hydron;6-(hydroxymethyl)-5-methyloxane-2,4-diol;triphenylphosphane;hydrobromide?
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;hydron;6-(hydroxymethyl)-5-methyloxane-2,4-diol;triphenylphosphane;hydrobromide (CID 160966345) 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;hydron;6-(hydroxymethyl)-5-methyloxane-2,4-diol;triphenylphosphane;hydrobromide.
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;hydron;6-(hydroxymethyl)-5-methyloxane-2,4-diol;triphenylphosphane;hydrobromide?
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;hydron;6-(hydroxymethyl)-5-methyloxane-2,4-diol;triphenylphosphane;hydrobromide is Br.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)CC(O)OC1CO.CC1C(O[Si](C)(C)C(C)(C)C)C=COC1CO[Si](C)(C)C(C)(C)C.[H+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
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;hydron;6-(hydroxymethyl)-5-methyloxane-2,4-diol;triphenylphosphane;hydrobromide?
The InChIKey is RGTXDXPFVDNJTC-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H56O4Si3.C19H40O3Si2.C18H15P.C7H14O4.BrH/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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-5(9)2-7(10)11-6(4)3-8;/h19-22H,17-18H2,1-16H3;12-13,15-17H,14H2,1-11H3;1-15H;4-10H,2-3H2,1H3;1H/p+1.
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;hydron;6-(hydroxymethyl)-5-methyloxane-2,4-diol;triphenylphosphane;hydrobromide?
[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;hydron;6-(hydroxymethyl)-5-methyloxane-2,4-diol;triphenylphosphane;hydrobromide has a molecular weight of 1384.07 g/mol, XLogP of 17.34, 16 rotatable bonds, 3 hydrogen bond donors, and 11 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;hydron;6-(hydroxymethyl)-5-methyloxane-2,4-diol;triphenylphosphane;hydrobromide is sourced from PubChem (CID 160966345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).