[(4S,6S)-6-[[(4R)-6-[[(4S)-2,2-dimethyl-6-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane

C40H80O8Si2 — CID 134905386

IUPAC[(4S,6S)-6-[[(4R)-6-[[(4S)-2,2-dimethyl-6-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCC1C[C@H](CC2C[C@H](C[C@H]3C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)OC(C)(C)O3)OC(C)(C)O2)OC(C)(C)O1)(C(C)C)C(C)C
InChIInChI=1S/C40H80O8Si2/c1-26(2)49(27(3)4,28(5)6)41-24-36-22-34(45-39(15,16)47-36)20-32-19-33(44-38(13,14)43-32)21-35-23-37(48-40(17,18)46-35)25-42-50(29(7)8,30(9)10)31(11)12/h26-37H,19-25H2,1-18H3/t32-,33?,34+,35+,36+,37?/m1/s1
InChIKeyOEFQNGCHHAIRRS-GJUFBRHRSA-N
MW745.24 g/mol
LogP10.88
Rot. Bonds16

About [(4S,6S)-6-[[(4R)-6-[[(4S)-2,2-dimethyl-6-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane

[(4S,6S)-6-[[(4R)-6-[[(4S)-2,2-dimethyl-6-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane (PubChem CID 134905386) has the molecular formula C40H80O8Si2 and a molecular weight of 745.24 g/mol. Its IUPAC name is [(4S,6S)-6-[[(4R)-6-[[(4S)-2,2-dimethyl-6-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(4S,6S)-6-[[(4R)-6-[[(4S)-2,2-dimethyl-6-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
PubChem CID134905386
Molecular FormulaC40H80O8Si2
Molecular Weight745.24 g/mol
Exact Mass744.54
IUPAC Name[(4S,6S)-6-[[(4R)-6-[[(4S)-2,2-dimethyl-6-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCC1C[C@H](CC2C[C@H](C[C@H]3C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)OC(C)(C)O3)OC(C)(C)O2)OC(C)(C)O1)(C(C)C)C(C)C
InChIInChI=1S/C40H80O8Si2/c1-26(2)49(27(3)4,28(5)6)41-24-36-22-34(45-39(15,16)47-36)20-32-19-33(44-38(13,14)43-32)21-35-23-37(48-40(17,18)46-35)25-42-50(29(7)8,30(9)10)31(11)12/h26-37H,19-25H2,1-18H3/t32-,33?,34+,35+,36+,37?/m1/s1
InChIKeyOEFQNGCHHAIRRS-GJUFBRHRSA-N
XLogP10.88
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.24
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(4S,6S)-6-[[(4R)-6-[[(4S)-2,2-dimethyl-6-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4S,6S)-6-[[(4R)-6-[[(4S)-2,2-dimethyl-6-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane?
The IUPAC name of [(4S,6S)-6-[[(4R)-6-[[(4S)-2,2-dimethyl-6-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane (CID 134905386) is [(4S,6S)-6-[[(4R)-6-[[(4S)-2,2-dimethyl-6-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(4S,6S)-6-[[(4R)-6-[[(4S)-2,2-dimethyl-6-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane?
The canonical SMILES for [(4S,6S)-6-[[(4R)-6-[[(4S)-2,2-dimethyl-6-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane is CC(C)[Si](OCC1C[C@H](CC2C[C@H](C[C@H]3C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)OC(C)(C)O3)OC(C)(C)O2)OC(C)(C)O1)(C(C)C)C(C)C.
What is the InChIKey of [(4S,6S)-6-[[(4R)-6-[[(4S)-2,2-dimethyl-6-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane?
The InChIKey is OEFQNGCHHAIRRS-GJUFBRHRSA-N. The full InChI is InChI=1S/C40H80O8Si2/c1-26(2)49(27(3)4,28(5)6)41-24-36-22-34(45-39(15,16)47-36)20-32-19-33(44-38(13,14)43-32)21-35-23-37(48-40(17,18)46-35)25-42-50(29(7)8,30(9)10)31(11)12/h26-37H,19-25H2,1-18H3/t32-,33?,34+,35+,36+,37?/m1/s1.
What are the key properties of [(4S,6S)-6-[[(4R)-6-[[(4S)-2,2-dimethyl-6-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane?
[(4S,6S)-6-[[(4R)-6-[[(4S)-2,2-dimethyl-6-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane has a molecular weight of 745.24 g/mol, XLogP of 10.88, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,6S)-6-[[(4R)-6-[[(4S)-2,2-dimethyl-6-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 134905386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).