[4-[(2R,4R,6R)-6-[[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]-1,3-oxazol-2-yl]methanol

C33H61NO6Si2 — CID 11215745

IUPAC[4-[(2R,4R,6R)-6-[[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]-1,3-oxazol-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)n3)O2)O[C@@H](CCO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C33H61NO6Si2/c1-22(2)42(23(3)4,24(5)6)40-29-18-28(39-31(19-29)30-21-36-32(20-35)34-30)17-27-16-25(7)15-26(38-27)13-14-37-41(11,12)33(8,9)10/h21-24,26-29,31,35H,7,13-20H2,1-6,8-12H3/t26-,27+,28+,29+,31+/m0/s1
InChIKeyICVUUYFLCVLOLN-MYFOLEFESA-N
MW624.02 g/mol
LogP8.85
Rot. Bonds13

About [4-[(2R,4R,6R)-6-[[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]-1,3-oxazol-2-yl]methanol

[4-[(2R,4R,6R)-6-[[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]-1,3-oxazol-2-yl]methanol (PubChem CID 11215745) has the molecular formula C33H61NO6Si2 and a molecular weight of 624.02 g/mol. Its IUPAC name is [4-[(2R,4R,6R)-6-[[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]-1,3-oxazol-2-yl]methanol.

Molecular Properties

Compound Name[4-[(2R,4R,6R)-6-[[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]-1,3-oxazol-2-yl]methanol
PubChem CID11215745
Molecular FormulaC33H61NO6Si2
Molecular Weight624.02 g/mol
Exact Mass623.40
IUPAC Name[4-[(2R,4R,6R)-6-[[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]-1,3-oxazol-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)n3)O2)O[C@@H](CCO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C33H61NO6Si2/c1-22(2)42(23(3)4,24(5)6)40-29-18-28(39-31(19-29)30-21-36-32(20-35)34-30)17-27-16-25(7)15-26(38-27)13-14-37-41(11,12)33(8,9)10/h21-24,26-29,31,35H,7,13-20H2,1-6,8-12H3/t26-,27+,28+,29+,31+/m0/s1
InChIKeyICVUUYFLCVLOLN-MYFOLEFESA-N
XLogP8.85
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.02
LogP ≤ 58.85
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'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(2R,4R,6R)-6-[[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]-1,3-oxazol-2-yl]methanol?
The IUPAC name of [4-[(2R,4R,6R)-6-[[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]-1,3-oxazol-2-yl]methanol (CID 11215745) is [4-[(2R,4R,6R)-6-[[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]-1,3-oxazol-2-yl]methanol.
What is the SMILES notation for [4-[(2R,4R,6R)-6-[[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]-1,3-oxazol-2-yl]methanol?
The canonical SMILES for [4-[(2R,4R,6R)-6-[[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]-1,3-oxazol-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)n3)O2)O[C@@H](CCO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [4-[(2R,4R,6R)-6-[[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]-1,3-oxazol-2-yl]methanol?
The InChIKey is ICVUUYFLCVLOLN-MYFOLEFESA-N. The full InChI is InChI=1S/C33H61NO6Si2/c1-22(2)42(23(3)4,24(5)6)40-29-18-28(39-31(19-29)30-21-36-32(20-35)34-30)17-27-16-25(7)15-26(38-27)13-14-37-41(11,12)33(8,9)10/h21-24,26-29,31,35H,7,13-20H2,1-6,8-12H3/t26-,27+,28+,29+,31+/m0/s1.
What are the key properties of [4-[(2R,4R,6R)-6-[[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]-1,3-oxazol-2-yl]methanol?
[4-[(2R,4R,6R)-6-[[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]-1,3-oxazol-2-yl]methanol has a molecular weight of 624.02 g/mol, XLogP of 8.85, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R,4R,6R)-6-[[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]methyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]-1,3-oxazol-2-yl]methanol is sourced from PubChem (CID 11215745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).