2,4-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-3,5-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol

C42H106O12Si10 — CID 153425775

IUPAC2,4-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-3,5-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol
SMILESC[Si](C)(C)O[Si](C)(C)CCCOC(CO)C(OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C(OCCC[Si](C)(C)O[Si](C)(C)C)C(CO)OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C42H106O12Si10/c1-55(2,3)49-61(19,20)33-25-29-45-39(37-43)42(48-32-28-36-64(24,53-59(13,14)15)54-60(16,17)18)41(47-31-26-34-62(21,22)50-56(4,5)6)40(38-44)46-30-27-35-63(23,51-57(7,8)9)52-58(10,11)12/h39-44H,25-38H2,1-24H3
InChIKeyGIWYLKNYUIAOHQ-UHFFFAOYSA-N
MW1084.16 g/mol
LogP11.74
Rot. Bonds37

About 2,4-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-3,5-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol

2,4-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-3,5-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol (PubChem CID 153425775) has the molecular formula C42H106O12Si10 and a molecular weight of 1084.16 g/mol. Its IUPAC name is 2,4-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-3,5-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol.

Molecular Properties

Compound Name2,4-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-3,5-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol
PubChem CID153425775
Molecular FormulaC42H106O12Si10
Molecular Weight1084.16 g/mol
Exact Mass1082.54
IUPAC Name2,4-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-3,5-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol
SMILESC[Si](C)(C)O[Si](C)(C)CCCOC(CO)C(OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C(OCCC[Si](C)(C)O[Si](C)(C)C)C(CO)OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C42H106O12Si10/c1-55(2,3)49-61(19,20)33-25-29-45-39(37-43)42(48-32-28-36-64(24,53-59(13,14)15)54-60(16,17)18)41(47-31-26-34-62(21,22)50-56(4,5)6)40(38-44)46-30-27-35-63(23,51-57(7,8)9)52-58(10,11)12/h39-44H,25-38H2,1-24H3
InChIKeyGIWYLKNYUIAOHQ-UHFFFAOYSA-N
XLogP11.74
TPSA132.76 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds37
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001084.16
LogP ≤ 511.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-3,5-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol?
The IUPAC name of 2,4-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-3,5-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol (CID 153425775) is 2,4-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-3,5-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol.
What is the SMILES notation for 2,4-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-3,5-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol?
The canonical SMILES for 2,4-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-3,5-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol is C[Si](C)(C)O[Si](C)(C)CCCOC(CO)C(OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C(OCCC[Si](C)(C)O[Si](C)(C)C)C(CO)OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2,4-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-3,5-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol?
The InChIKey is GIWYLKNYUIAOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H106O12Si10/c1-55(2,3)49-61(19,20)33-25-29-45-39(37-43)42(48-32-28-36-64(24,53-59(13,14)15)54-60(16,17)18)41(47-31-26-34-62(21,22)50-56(4,5)6)40(38-44)46-30-27-35-63(23,51-57(7,8)9)52-58(10,11)12/h39-44H,25-38H2,1-24H3.
What are the key properties of 2,4-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-3,5-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol?
2,4-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-3,5-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol has a molecular weight of 1084.16 g/mol, XLogP of 11.74, 37 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-3,5-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol is sourced from PubChem (CID 153425775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).