(3R,4S,5S)-3-benzyl-5-(phenylmethoxymethyl)-4-trimethylsilyloxolan-2-one

C22H28O3Si — CID 12020935

IUPAC(3R,4S,5S)-3-benzyl-5-(phenylmethoxymethyl)-4-trimethylsilyloxolan-2-one
SMILESC[Si](C)(C)[C@@H]1[C@H](COCc2ccccc2)OC(=O)[C@H]1Cc1ccccc1
InChIInChI=1S/C22H28O3Si/c1-26(2,3)21-19(14-17-10-6-4-7-11-17)22(23)25-20(21)16-24-15-18-12-8-5-9-13-18/h4-13,19-21H,14-16H2,1-3H3/t19-,20-,21-/m0/s1
InChIKeyDBLVQCKMKKXXSA-ACRUOGEOSA-N
MW368.55 g/mol
LogP4.70
Rot. Bonds7

About (3R,4S,5S)-3-benzyl-5-(phenylmethoxymethyl)-4-trimethylsilyloxolan-2-one

(3R,4S,5S)-3-benzyl-5-(phenylmethoxymethyl)-4-trimethylsilyloxolan-2-one (PubChem CID 12020935) has the molecular formula C22H28O3Si and a molecular weight of 368.55 g/mol. Its IUPAC name is (3R,4S,5S)-3-benzyl-5-(phenylmethoxymethyl)-4-trimethylsilyloxolan-2-one.

Molecular Properties

Compound Name(3R,4S,5S)-3-benzyl-5-(phenylmethoxymethyl)-4-trimethylsilyloxolan-2-one
PubChem CID12020935
Molecular FormulaC22H28O3Si
Molecular Weight368.55 g/mol
Exact Mass368.18
IUPAC Name(3R,4S,5S)-3-benzyl-5-(phenylmethoxymethyl)-4-trimethylsilyloxolan-2-one
SMILESC[Si](C)(C)[C@@H]1[C@H](COCc2ccccc2)OC(=O)[C@H]1Cc1ccccc1
InChIInChI=1S/C22H28O3Si/c1-26(2,3)21-19(14-17-10-6-4-7-11-17)22(23)25-20(21)16-24-15-18-12-8-5-9-13-18/h4-13,19-21H,14-16H2,1-3H3/t19-,20-,21-/m0/s1
InChIKeyDBLVQCKMKKXXSA-ACRUOGEOSA-N
XLogP4.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-3-methyl-4-(phenylmethoxymethyl)oxetan-2-one
CID 134988868
(3R,4S,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 166718283
trimethyl-[(2S,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]silane
CID 11736511
(3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
CID 130757032
3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 77175213
(5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-one
CID 134832144
(3R,4S)-3-benzyl-4-(bromomethyl)oxetan-2-one
CID 10467527
(4S,5R)-4-methyl-3-methylidene-5-(phenylmethoxymethyl)oxolan-2-one
CID 11390632
(2R,3aR,6R,6aR)-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 129385478
3-ethyl-6-(phenylmethoxymethyl)-1,4-dioxane-2,5-dione
CID 71242586
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
3-methyl-6-(phenylmethoxymethyl)-1,4-dioxane-2,5-dione
CID 72570381

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-3-benzyl-5-(phenylmethoxymethyl)-4-trimethylsilyloxolan-2-one?
The IUPAC name of (3R,4S,5S)-3-benzyl-5-(phenylmethoxymethyl)-4-trimethylsilyloxolan-2-one (CID 12020935) is (3R,4S,5S)-3-benzyl-5-(phenylmethoxymethyl)-4-trimethylsilyloxolan-2-one.
What is the SMILES notation for (3R,4S,5S)-3-benzyl-5-(phenylmethoxymethyl)-4-trimethylsilyloxolan-2-one?
The canonical SMILES for (3R,4S,5S)-3-benzyl-5-(phenylmethoxymethyl)-4-trimethylsilyloxolan-2-one is C[Si](C)(C)[C@@H]1[C@H](COCc2ccccc2)OC(=O)[C@H]1Cc1ccccc1.
What is the InChIKey of (3R,4S,5S)-3-benzyl-5-(phenylmethoxymethyl)-4-trimethylsilyloxolan-2-one?
The InChIKey is DBLVQCKMKKXXSA-ACRUOGEOSA-N. The full InChI is InChI=1S/C22H28O3Si/c1-26(2,3)21-19(14-17-10-6-4-7-11-17)22(23)25-20(21)16-24-15-18-12-8-5-9-13-18/h4-13,19-21H,14-16H2,1-3H3/t19-,20-,21-/m0/s1.
What are the key properties of (3R,4S,5S)-3-benzyl-5-(phenylmethoxymethyl)-4-trimethylsilyloxolan-2-one?
(3R,4S,5S)-3-benzyl-5-(phenylmethoxymethyl)-4-trimethylsilyloxolan-2-one has a molecular weight of 368.55 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-3-benzyl-5-(phenylmethoxymethyl)-4-trimethylsilyloxolan-2-one is sourced from PubChem (CID 12020935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).