[(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methanol

C35H65NO6Si2 — CID 101056165

IUPAC[(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methanol
SMILESC=C1C[C@H](C[C@@H]2C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@H](c3coc(CO[Si](C(C)C)(C(C)C)C(C)C)n3)O2)O[C@@H](CO)C1
InChIInChI=1S/C35H65NO6Si2/c1-22(2)43(23(3)4,24(5)6)39-21-35-36-33(20-38-35)34-18-31(42-44(25(7)8,26(9)10)27(11)12)17-30(41-34)16-29-14-28(13)15-32(19-37)40-29/h20,22-27,29-32,34,37H,13-19,21H2,1-12H3/t29-,30-,31+,32-,34-/m1/s1
InChIKeyPATZRBZSDQIUBT-XDURGXAYSA-N
MW652.08 g/mol
LogP9.63
Rot. Bonds15

About [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methanol

[(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methanol (PubChem CID 101056165) has the molecular formula C35H65NO6Si2 and a molecular weight of 652.08 g/mol. Its IUPAC name is [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methanol
PubChem CID101056165
Molecular FormulaC35H65NO6Si2
Molecular Weight652.08 g/mol
Exact Mass651.44
IUPAC Name[(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methanol
SMILESC=C1C[C@H](C[C@@H]2C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@H](c3coc(CO[Si](C(C)C)(C(C)C)C(C)C)n3)O2)O[C@@H](CO)C1
InChIInChI=1S/C35H65NO6Si2/c1-22(2)43(23(3)4,24(5)6)39-21-35-36-33(20-38-35)34-18-31(42-44(25(7)8,26(9)10)27(11)12)17-30(41-34)16-29-14-28(13)15-32(19-37)40-29/h20,22-27,29-32,34,37H,13-19,21H2,1-12H3/t29-,30-,31+,32-,34-/m1/s1
InChIKeyPATZRBZSDQIUBT-XDURGXAYSA-N
XLogP9.63
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.08
LogP ≤ 59.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methanol?
The IUPAC name of [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methanol (CID 101056165) is [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methanol.
What is the SMILES notation for [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methanol?
The canonical SMILES for [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methanol is C=C1C[C@H](C[C@@H]2C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@H](c3coc(CO[Si](C(C)C)(C(C)C)C(C)C)n3)O2)O[C@@H](CO)C1.
What is the InChIKey of [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methanol?
The InChIKey is PATZRBZSDQIUBT-XDURGXAYSA-N. The full InChI is InChI=1S/C35H65NO6Si2/c1-22(2)43(23(3)4,24(5)6)39-21-35-36-33(20-38-35)34-18-31(42-44(25(7)8,26(9)10)27(11)12)17-30(41-34)16-29-14-28(13)15-32(19-37)40-29/h20,22-27,29-32,34,37H,13-19,21H2,1-12H3/t29-,30-,31+,32-,34-/m1/s1.
What are the key properties of [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methanol?
[(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methanol has a molecular weight of 652.08 g/mol, XLogP of 9.63, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-4-tri(propan-2-yl)silyloxy-6-[2-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]methyl]oxan-2-yl]methanol is sourced from PubChem (CID 101056165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).