(2R,3S,6R)-6-[dimethyl(phenyl)silyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-one

C28H32O4Si — CID 10928642

IUPAC(2R,3S,6R)-6-[dimethyl(phenyl)silyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-one
SMILESC[Si](C)(c1ccccc1)[C@@H]1CC(=O)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C28H32O4Si/c1-33(2,24-16-10-5-11-17-24)27-18-25(29)28(31-20-23-14-8-4-9-15-23)26(32-27)21-30-19-22-12-6-3-7-13-22/h3-17,26-28H,18-21H2,1-2H3/t26-,27-,28-/m1/s1
InChIKeyAUSVQOHAYSXFQD-JCYYIGJDSA-N
MW460.65 g/mol
LogP4.67
Rot. Bonds9

About (2R,3S,6R)-6-[dimethyl(phenyl)silyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-one

(2R,3S,6R)-6-[dimethyl(phenyl)silyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-one (PubChem CID 10928642) has the molecular formula C28H32O4Si and a molecular weight of 460.65 g/mol. Its IUPAC name is (2R,3S,6R)-6-[dimethyl(phenyl)silyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-one.

Molecular Properties

Compound Name(2R,3S,6R)-6-[dimethyl(phenyl)silyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-one
PubChem CID10928642
Molecular FormulaC28H32O4Si
Molecular Weight460.65 g/mol
Exact Mass460.21
IUPAC Name(2R,3S,6R)-6-[dimethyl(phenyl)silyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-one
SMILESC[Si](C)(c1ccccc1)[C@@H]1CC(=O)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C28H32O4Si/c1-33(2,24-16-10-5-11-17-24)27-18-25(29)28(31-20-23-14-8-4-9-15-23)26(32-27)21-30-19-22-12-6-3-7-13-22/h3-17,26-28H,18-21H2,1-2H3/t26-,27-,28-/m1/s1
InChIKeyAUSVQOHAYSXFQD-JCYYIGJDSA-N
XLogP4.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.65
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,6R)-6-(4-bromophenyl)-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-one
CID 146166603
(2R,3S,6R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-tributylstannyloxan-4-one
CID 11814134
(2S,3S,6S)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-one
CID 11302737
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2R,3S,6S)-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-[[(1S,2R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]oxan-4-one
CID 11124755
(3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
CID 130757032
(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]methyl]oxan-4-one
CID 102502311
(5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-one
CID 134832144
5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
CID 85318993
(2R,3S,6S)-4-methylidene-6-phenyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxane
CID 146166198
(4R,5R)-2-(2-methoxyethylamino)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one
CID 143326454
(2R,4S,5R,6R)-2-(3-hydroxypentan-3-yl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-one
CID 11092534

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6R)-6-[dimethyl(phenyl)silyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-one?
The IUPAC name of (2R,3S,6R)-6-[dimethyl(phenyl)silyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-one (CID 10928642) is (2R,3S,6R)-6-[dimethyl(phenyl)silyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-one.
What is the SMILES notation for (2R,3S,6R)-6-[dimethyl(phenyl)silyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-one?
The canonical SMILES for (2R,3S,6R)-6-[dimethyl(phenyl)silyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-one is C[Si](C)(c1ccccc1)[C@@H]1CC(=O)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1.
What is the InChIKey of (2R,3S,6R)-6-[dimethyl(phenyl)silyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-one?
The InChIKey is AUSVQOHAYSXFQD-JCYYIGJDSA-N. The full InChI is InChI=1S/C28H32O4Si/c1-33(2,24-16-10-5-11-17-24)27-18-25(29)28(31-20-23-14-8-4-9-15-23)26(32-27)21-30-19-22-12-6-3-7-13-22/h3-17,26-28H,18-21H2,1-2H3/t26-,27-,28-/m1/s1.
What are the key properties of (2R,3S,6R)-6-[dimethyl(phenyl)silyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-one?
(2R,3S,6R)-6-[dimethyl(phenyl)silyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-one has a molecular weight of 460.65 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6R)-6-[dimethyl(phenyl)silyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-one is sourced from PubChem (CID 10928642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).