(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

C23H30O4Si — CID 10069473

IUPAC(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESCC1(C)O[C@H](C=O)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C23H30O4Si/c1-22(2,3)28(18-12-8-6-9-13-18,19-14-10-7-11-15-19)25-17-21-20(16-24)26-23(4,5)27-21/h6-16,20-21H,17H2,1-5H3/t20-,21-/m1/s1
InChIKeyIARLEQVUVIJKBD-NHCUHLMSSA-N
MW398.58 g/mol
LogP3.28
Rot. Bonds6

About (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (PubChem CID 10069473) has the molecular formula C23H30O4Si and a molecular weight of 398.58 g/mol. Its IUPAC name is (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
PubChem CID10069473
Molecular FormulaC23H30O4Si
Molecular Weight398.58 g/mol
Exact Mass398.19
IUPAC Name(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESCC1(C)O[C@H](C=O)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C23H30O4Si/c1-22(2,3)28(18-12-8-6-9-13-18,19-14-10-7-11-15-19)25-17-21-20(16-24)26-23(4,5)27-21/h6-16,20-21H,17H2,1-5H3/t20-,21-/m1/s1
InChIKeyIARLEQVUVIJKBD-NHCUHLMSSA-N
XLogP3.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.58
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (CID 10069473) is (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is CC1(C)O[C@H](C=O)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The InChIKey is IARLEQVUVIJKBD-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H30O4Si/c1-22(2,3)28(18-12-8-6-9-13-18,19-14-10-7-11-15-19)25-17-21-20(16-24)26-23(4,5)27-21/h6-16,20-21H,17H2,1-5H3/t20-,21-/m1/s1.
What are the key properties of (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde has a molecular weight of 398.58 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 10069473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).