[(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane

C21H36O4Si — CID 102427780

IUPAC[(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
SMILESCOc1ccc([C@@H]2OCC[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)O2)cc1
InChIInChI=1S/C21H36O4Si/c1-15(2)26(16(3)4,17(5)6)24-14-20-12-13-23-21(25-20)18-8-10-19(22-7)11-9-18/h8-11,15-17,20-21H,12-14H2,1-7H3/t20-,21-/m1/s1
InChIKeyAPROIYJURZQJJH-NHCUHLMSSA-N
MW380.60 g/mol
LogP5.69
Rot. Bonds8

About [(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane

[(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane (PubChem CID 102427780) has the molecular formula C21H36O4Si and a molecular weight of 380.60 g/mol. Its IUPAC name is [(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
PubChem CID102427780
Molecular FormulaC21H36O4Si
Molecular Weight380.60 g/mol
Exact Mass380.24
IUPAC Name[(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
SMILESCOc1ccc([C@@H]2OCC[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)O2)cc1
InChIInChI=1S/C21H36O4Si/c1-15(2)26(16(3)4,17(5)6)24-14-20-12-13-23-21(25-20)18-8-10-19(22-7)11-9-18/h8-11,15-17,20-21H,12-14H2,1-7H3/t20-,21-/m1/s1
InChIKeyAPROIYJURZQJJH-NHCUHLMSSA-N
XLogP5.69
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.60
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane?
The IUPAC name of [(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane (CID 102427780) is [(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane is COc1ccc([C@@H]2OCC[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)O2)cc1.
What is the InChIKey of [(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane?
The InChIKey is APROIYJURZQJJH-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H36O4Si/c1-15(2)26(16(3)4,17(5)6)24-14-20-12-13-23-21(25-20)18-8-10-19(22-7)11-9-18/h8-11,15-17,20-21H,12-14H2,1-7H3/t20-,21-/m1/s1.
What are the key properties of [(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane?
[(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane has a molecular weight of 380.60 g/mol, XLogP of 5.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 102427780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).