[(2R,3R,4R,5R,6R)-6-(2-trimethylsilylethynyl)-3,4,5-tris[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol

C38H80O5Si4 — CID 90354928

IUPAC[(2R,3R,4R,5R,6R)-6-(2-trimethylsilylethynyl)-3,4,5-tris[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol
SMILESCC(C)[Si](O[C@@H]1[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C#C[Si](C)(C)C)O[C@H](CO)[C@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C38H80O5Si4/c1-25(2)45(26(3)4,27(5)6)41-36-34(22-23-44(19,20)21)40-35(24-39)37(42-46(28(7)8,29(9)10)30(11)12)38(36)43-47(31(13)14,32(15)16)33(17)18/h25-39H,24H2,1-21H3/t34-,35-,36-,37-,38-/m1/s1
InChIKeySABOPVNUYGAYGK-OHTWKVNYSA-N
MW729.40 g/mol
LogP11.31
Rot. Bonds16

About [(2R,3R,4R,5R,6R)-6-(2-trimethylsilylethynyl)-3,4,5-tris[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol

[(2R,3R,4R,5R,6R)-6-(2-trimethylsilylethynyl)-3,4,5-tris[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol (PubChem CID 90354928) has the molecular formula C38H80O5Si4 and a molecular weight of 729.40 g/mol. Its IUPAC name is [(2R,3R,4R,5R,6R)-6-(2-trimethylsilylethynyl)-3,4,5-tris[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,4R,5R,6R)-6-(2-trimethylsilylethynyl)-3,4,5-tris[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol
PubChem CID90354928
Molecular FormulaC38H80O5Si4
Molecular Weight729.40 g/mol
Exact Mass728.51
IUPAC Name[(2R,3R,4R,5R,6R)-6-(2-trimethylsilylethynyl)-3,4,5-tris[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol
SMILESCC(C)[Si](O[C@@H]1[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C#C[Si](C)(C)C)O[C@H](CO)[C@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C38H80O5Si4/c1-25(2)45(26(3)4,27(5)6)41-36-34(22-23-44(19,20)21)40-35(24-39)37(42-46(28(7)8,29(9)10)30(11)12)38(36)43-47(31(13)14,32(15)16)33(17)18/h25-39H,24H2,1-21H3/t34-,35-,36-,37-,38-/m1/s1
InChIKeySABOPVNUYGAYGK-OHTWKVNYSA-N
XLogP11.31
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.40
LogP ≤ 511.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R,6R)-6-(2-trimethylsilylethynyl)-3,4,5-tris[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol?
The IUPAC name of [(2R,3R,4R,5R,6R)-6-(2-trimethylsilylethynyl)-3,4,5-tris[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol (CID 90354928) is [(2R,3R,4R,5R,6R)-6-(2-trimethylsilylethynyl)-3,4,5-tris[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol.
What is the SMILES notation for [(2R,3R,4R,5R,6R)-6-(2-trimethylsilylethynyl)-3,4,5-tris[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol?
The canonical SMILES for [(2R,3R,4R,5R,6R)-6-(2-trimethylsilylethynyl)-3,4,5-tris[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol is CC(C)[Si](O[C@@H]1[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C#C[Si](C)(C)C)O[C@H](CO)[C@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(2R,3R,4R,5R,6R)-6-(2-trimethylsilylethynyl)-3,4,5-tris[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol?
The InChIKey is SABOPVNUYGAYGK-OHTWKVNYSA-N. The full InChI is InChI=1S/C38H80O5Si4/c1-25(2)45(26(3)4,27(5)6)41-36-34(22-23-44(19,20)21)40-35(24-39)37(42-46(28(7)8,29(9)10)30(11)12)38(36)43-47(31(13)14,32(15)16)33(17)18/h25-39H,24H2,1-21H3/t34-,35-,36-,37-,38-/m1/s1.
What are the key properties of [(2R,3R,4R,5R,6R)-6-(2-trimethylsilylethynyl)-3,4,5-tris[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol?
[(2R,3R,4R,5R,6R)-6-(2-trimethylsilylethynyl)-3,4,5-tris[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol has a molecular weight of 729.40 g/mol, XLogP of 11.31, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R,6R)-6-(2-trimethylsilylethynyl)-3,4,5-tris[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol is sourced from PubChem (CID 90354928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).