(2R,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxirane-2-carbaldehyde

C12H24O3Si — CID 11746885

IUPAC(2R,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxirane-2-carbaldehyde
SMILESC[C@@H](C[C@@H]1O[C@H]1C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-9(7-10-11(8-13)14-10)15-16(5,6)12(2,3)4/h8-11H,7H2,1-6H3/t9-,10-,11-/m0/s1
InChIKeyQZBPTKCOKAQMLL-DCAQKATOSA-N
MW244.41 g/mol
LogP2.75
Rot. Bonds5

About (2R,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxirane-2-carbaldehyde

(2R,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxirane-2-carbaldehyde (PubChem CID 11746885) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is (2R,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxirane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxirane-2-carbaldehyde
PubChem CID11746885
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name(2R,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxirane-2-carbaldehyde
SMILESC[C@@H](C[C@@H]1O[C@H]1C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-9(7-10-11(8-13)14-10)15-16(5,6)12(2,3)4/h8-11H,7H2,1-6H3/t9-,10-,11-/m0/s1
InChIKeyQZBPTKCOKAQMLL-DCAQKATOSA-N
XLogP2.75
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.75
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxirane-2-carbaldehyde?
The IUPAC name of (2R,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxirane-2-carbaldehyde (CID 11746885) is (2R,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxirane-2-carbaldehyde.
What is the SMILES notation for (2R,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxirane-2-carbaldehyde?
The canonical SMILES for (2R,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxirane-2-carbaldehyde is C[C@@H](C[C@@H]1O[C@H]1C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxirane-2-carbaldehyde?
The InChIKey is QZBPTKCOKAQMLL-DCAQKATOSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-9(7-10-11(8-13)14-10)15-16(5,6)12(2,3)4/h8-11H,7H2,1-6H3/t9-,10-,11-/m0/s1.
What are the key properties of (2R,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxirane-2-carbaldehyde?
(2R,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxirane-2-carbaldehyde has a molecular weight of 244.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxirane-2-carbaldehyde is sourced from PubChem (CID 11746885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).