(2S,3R,4R,5S)-4-[dimethyl(phenyl)silyl]-5-(methoxymethyl)-2-phenyloxolane-3-carbaldehyde

C21H26O3Si — CID 122395166

IUPAC(2S,3R,4R,5S)-4-[dimethyl(phenyl)silyl]-5-(methoxymethyl)-2-phenyloxolane-3-carbaldehyde
SMILESCOC[C@@H]1O[C@H](c2ccccc2)[C@H](C=O)[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H26O3Si/c1-23-15-19-21(25(2,3)17-12-8-5-9-13-17)18(14-22)20(24-19)16-10-6-4-7-11-16/h4-14,18-21H,15H2,1-3H3/t18-,19-,20+,21+/m0/s1
InChIKeyNSYINWKPWIIBIZ-UWHLTILDSA-N
MW354.52 g/mol
LogP3.57
Rot. Bonds6

About (2S,3R,4R,5S)-4-[dimethyl(phenyl)silyl]-5-(methoxymethyl)-2-phenyloxolane-3-carbaldehyde

(2S,3R,4R,5S)-4-[dimethyl(phenyl)silyl]-5-(methoxymethyl)-2-phenyloxolane-3-carbaldehyde (PubChem CID 122395166) has the molecular formula C21H26O3Si and a molecular weight of 354.52 g/mol. Its IUPAC name is (2S,3R,4R,5S)-4-[dimethyl(phenyl)silyl]-5-(methoxymethyl)-2-phenyloxolane-3-carbaldehyde.

Molecular Properties

Compound Name(2S,3R,4R,5S)-4-[dimethyl(phenyl)silyl]-5-(methoxymethyl)-2-phenyloxolane-3-carbaldehyde
PubChem CID122395166
Molecular FormulaC21H26O3Si
Molecular Weight354.52 g/mol
Exact Mass354.17
IUPAC Name(2S,3R,4R,5S)-4-[dimethyl(phenyl)silyl]-5-(methoxymethyl)-2-phenyloxolane-3-carbaldehyde
SMILESCOC[C@@H]1O[C@H](c2ccccc2)[C@H](C=O)[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H26O3Si/c1-23-15-19-21(25(2,3)17-12-8-5-9-13-17)18(14-22)20(24-19)16-10-6-4-7-11-16/h4-14,18-21H,15H2,1-3H3/t18-,19-,20+,21+/m0/s1
InChIKeyNSYINWKPWIIBIZ-UWHLTILDSA-N
XLogP3.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-4-[dimethyl(phenyl)silyl]-5-(methoxymethyl)-2-phenyloxolane-3-carbaldehyde?
The IUPAC name of (2S,3R,4R,5S)-4-[dimethyl(phenyl)silyl]-5-(methoxymethyl)-2-phenyloxolane-3-carbaldehyde (CID 122395166) is (2S,3R,4R,5S)-4-[dimethyl(phenyl)silyl]-5-(methoxymethyl)-2-phenyloxolane-3-carbaldehyde.
What is the SMILES notation for (2S,3R,4R,5S)-4-[dimethyl(phenyl)silyl]-5-(methoxymethyl)-2-phenyloxolane-3-carbaldehyde?
The canonical SMILES for (2S,3R,4R,5S)-4-[dimethyl(phenyl)silyl]-5-(methoxymethyl)-2-phenyloxolane-3-carbaldehyde is COC[C@@H]1O[C@H](c2ccccc2)[C@H](C=O)[C@H]1[Si](C)(C)c1ccccc1.
What is the InChIKey of (2S,3R,4R,5S)-4-[dimethyl(phenyl)silyl]-5-(methoxymethyl)-2-phenyloxolane-3-carbaldehyde?
The InChIKey is NSYINWKPWIIBIZ-UWHLTILDSA-N. The full InChI is InChI=1S/C21H26O3Si/c1-23-15-19-21(25(2,3)17-12-8-5-9-13-17)18(14-22)20(24-19)16-10-6-4-7-11-16/h4-14,18-21H,15H2,1-3H3/t18-,19-,20+,21+/m0/s1.
What are the key properties of (2S,3R,4R,5S)-4-[dimethyl(phenyl)silyl]-5-(methoxymethyl)-2-phenyloxolane-3-carbaldehyde?
(2S,3R,4R,5S)-4-[dimethyl(phenyl)silyl]-5-(methoxymethyl)-2-phenyloxolane-3-carbaldehyde has a molecular weight of 354.52 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-4-[dimethyl(phenyl)silyl]-5-(methoxymethyl)-2-phenyloxolane-3-carbaldehyde is sourced from PubChem (CID 122395166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).