2,3,4,5-tetrakis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol;2,3,4,5-tetrakis(3-triethylsilylpropoxy)hexane-1,6-diol

C80H188O16Si12 — CID 159017030

IUPAC2,3,4,5-tetrakis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol;2,3,4,5-tetrakis(3-triethylsilylpropoxy)hexane-1,6-diol
SMILESCC[Si](CC)(CC)CCCOC(CO)C(OCCC[Si](CC)(CC)CC)C(OCCC[Si](CC)(CC)CC)C(CO)OCCC[Si](CC)(CC)CC.C[Si](C)(C)O[Si](C)(C)CCCOC(CO)C(OCCC[Si](C)(C)O[Si](C)(C)C)C(OCCC[Si](C)(C)O[Si](C)(C)C)C(CO)OCCC[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C42H94O6Si4.C38H94O10Si8/c1-13-49(14-2,15-3)33-25-29-45-39(37-43)41(47-31-27-35-51(19-7,20-8)21-9)42(48-32-28-36-52(22-10,23-11)24-12)40(38-44)46-30-26-34-50(16-4,17-5)18-6;1-49(2,3)45-53(13,14)29-21-25-41-35(33-39)37(43-27-23-31-55(17,18)47-51(7,8)9)38(44-28-24-32-56(19,20)48-52(10,11)12)36(34-40)42-26-22-30-54(15,16)46-50(4,5)6/h39-44H,13-38H2,1-12H3;35-40H,21-34H2,1-20H3
InChIKeyJTFJBDDLNLFEOL-UHFFFAOYSA-N
MW1743.40 g/mol
LogP22.40
Rot. Bonds70

About 2,3,4,5-tetrakis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol;2,3,4,5-tetrakis(3-triethylsilylpropoxy)hexane-1,6-diol

2,3,4,5-tetrakis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol;2,3,4,5-tetrakis(3-triethylsilylpropoxy)hexane-1,6-diol (PubChem CID 159017030) has the molecular formula C80H188O16Si12 and a molecular weight of 1743.40 g/mol. Its IUPAC name is 2,3,4,5-tetrakis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol;2,3,4,5-tetrakis(3-triethylsilylpropoxy)hexane-1,6-diol.

Molecular Properties

Compound Name2,3,4,5-tetrakis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol;2,3,4,5-tetrakis(3-triethylsilylpropoxy)hexane-1,6-diol
PubChem CID159017030
Molecular FormulaC80H188O16Si12
Molecular Weight1743.40 g/mol
Exact Mass1741.11
IUPAC Name2,3,4,5-tetrakis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol;2,3,4,5-tetrakis(3-triethylsilylpropoxy)hexane-1,6-diol
SMILESCC[Si](CC)(CC)CCCOC(CO)C(OCCC[Si](CC)(CC)CC)C(OCCC[Si](CC)(CC)CC)C(CO)OCCC[Si](CC)(CC)CC.C[Si](C)(C)O[Si](C)(C)CCCOC(CO)C(OCCC[Si](C)(C)O[Si](C)(C)C)C(OCCC[Si](C)(C)O[Si](C)(C)C)C(CO)OCCC[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C42H94O6Si4.C38H94O10Si8/c1-13-49(14-2,15-3)33-25-29-45-39(37-43)41(47-31-27-35-51(19-7,20-8)21-9)42(48-32-28-36-52(22-10,23-11)24-12)40(38-44)46-30-26-34-50(16-4,17-5)18-6;1-49(2,3)45-53(13,14)29-21-25-41-35(33-39)37(43-27-23-31-55(17,18)47-51(7,8)9)38(44-28-24-32-56(19,20)48-52(10,11)12)36(34-40)42-26-22-30-54(15,16)46-50(4,5)6/h39-44H,13-38H2,1-12H3;35-40H,21-34H2,1-20H3
InChIKeyJTFJBDDLNLFEOL-UHFFFAOYSA-N
XLogP22.40
TPSA191.68 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds70
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001743.40
LogP ≤ 522.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2,3,4,5-tetrakis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol;2,3,4,5-tetrakis(3-triethylsilylpropoxy)hexane-1,6-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrakis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol;2,3,4,5-tetrakis(3-triethylsilylpropoxy)hexane-1,6-diol?
The IUPAC name of 2,3,4,5-tetrakis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol;2,3,4,5-tetrakis(3-triethylsilylpropoxy)hexane-1,6-diol (CID 159017030) is 2,3,4,5-tetrakis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol;2,3,4,5-tetrakis(3-triethylsilylpropoxy)hexane-1,6-diol.
What is the SMILES notation for 2,3,4,5-tetrakis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol;2,3,4,5-tetrakis(3-triethylsilylpropoxy)hexane-1,6-diol?
The canonical SMILES for 2,3,4,5-tetrakis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol;2,3,4,5-tetrakis(3-triethylsilylpropoxy)hexane-1,6-diol is CC[Si](CC)(CC)CCCOC(CO)C(OCCC[Si](CC)(CC)CC)C(OCCC[Si](CC)(CC)CC)C(CO)OCCC[Si](CC)(CC)CC.C[Si](C)(C)O[Si](C)(C)CCCOC(CO)C(OCCC[Si](C)(C)O[Si](C)(C)C)C(OCCC[Si](C)(C)O[Si](C)(C)C)C(CO)OCCC[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of 2,3,4,5-tetrakis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol;2,3,4,5-tetrakis(3-triethylsilylpropoxy)hexane-1,6-diol?
The InChIKey is JTFJBDDLNLFEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H94O6Si4.C38H94O10Si8/c1-13-49(14-2,15-3)33-25-29-45-39(37-43)41(47-31-27-35-51(19-7,20-8)21-9)42(48-32-28-36-52(22-10,23-11)24-12)40(38-44)46-30-26-34-50(16-4,17-5)18-6;1-49(2,3)45-53(13,14)29-21-25-41-35(33-39)37(43-27-23-31-55(17,18)47-51(7,8)9)38(44-28-24-32-56(19,20)48-52(10,11)12)36(34-40)42-26-22-30-54(15,16)46-50(4,5)6/h39-44H,13-38H2,1-12H3;35-40H,21-34H2,1-20H3.
What are the key properties of 2,3,4,5-tetrakis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol;2,3,4,5-tetrakis(3-triethylsilylpropoxy)hexane-1,6-diol?
2,3,4,5-tetrakis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol;2,3,4,5-tetrakis(3-triethylsilylpropoxy)hexane-1,6-diol has a molecular weight of 1743.40 g/mol, XLogP of 22.40, 70 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrakis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol;2,3,4,5-tetrakis(3-triethylsilylpropoxy)hexane-1,6-diol is sourced from PubChem (CID 159017030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).