(2R,3R)-3-but-3-enyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde

C24H30O3Si — CID 12000291

IUPAC(2R,3R)-3-but-3-enyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde
SMILESC=CCC[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H]1C=O
InChIInChI=1S/C24H30O3Si/c1-5-6-17-24(22(18-25)27-24)19-26-28(23(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h5,7-16,18,22H,1,6,17,19H2,2-4H3/t22-,24+/m0/s1
InChIKeyJGOGRZYLSRZZEN-LADGPHEKSA-N
MW394.59 g/mol
LogP3.87
Rot. Bonds9

About (2R,3R)-3-but-3-enyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde

(2R,3R)-3-but-3-enyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde (PubChem CID 12000291) has the molecular formula C24H30O3Si and a molecular weight of 394.59 g/mol. Its IUPAC name is (2R,3R)-3-but-3-enyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3R)-3-but-3-enyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde
PubChem CID12000291
Molecular FormulaC24H30O3Si
Molecular Weight394.59 g/mol
Exact Mass394.20
IUPAC Name(2R,3R)-3-but-3-enyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde
SMILESC=CCC[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H]1C=O
InChIInChI=1S/C24H30O3Si/c1-5-6-17-24(22(18-25)27-24)19-26-28(23(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h5,7-16,18,22H,1,6,17,19H2,2-4H3/t22-,24+/m0/s1
InChIKeyJGOGRZYLSRZZEN-LADGPHEKSA-N
XLogP3.87
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.59
LogP ≤ 53.87
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-but-3-enyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde?
The IUPAC name of (2R,3R)-3-but-3-enyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde (CID 12000291) is (2R,3R)-3-but-3-enyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde.
What is the SMILES notation for (2R,3R)-3-but-3-enyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde?
The canonical SMILES for (2R,3R)-3-but-3-enyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde is C=CCC[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H]1C=O.
What is the InChIKey of (2R,3R)-3-but-3-enyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde?
The InChIKey is JGOGRZYLSRZZEN-LADGPHEKSA-N. The full InChI is InChI=1S/C24H30O3Si/c1-5-6-17-24(22(18-25)27-24)19-26-28(23(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h5,7-16,18,22H,1,6,17,19H2,2-4H3/t22-,24+/m0/s1.
What are the key properties of (2R,3R)-3-but-3-enyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde?
(2R,3R)-3-but-3-enyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde has a molecular weight of 394.59 g/mol, XLogP of 3.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-but-3-enyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxirane-2-carbaldehyde is sourced from PubChem (CID 12000291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).