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

C16H34O3Si2 — CID 11580763

IUPAC(2S,3R)-3-[tert-butyl(dimethyl)silyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@@]1(C=O)O[C@@H]1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3Si2/c1-14(2,3)20(7,8)13-16(11-17,19-13)12-18-21(9,10)15(4,5)6/h11,13H,12H2,1-10H3/t13-,16-/m1/s1
InChIKeyQXFNPLWTSJNYMD-CZUORRHYSA-N
MW330.62 g/mol
LogP4.39
Rot. Bonds5

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

(2S,3R)-3-[tert-butyl(dimethyl)silyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde (PubChem CID 11580763) has the molecular formula C16H34O3Si2 and a molecular weight of 330.62 g/mol. Its IUPAC name is (2S,3R)-3-[tert-butyl(dimethyl)silyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde.

Molecular Properties

Compound Name(2S,3R)-3-[tert-butyl(dimethyl)silyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde
PubChem CID11580763
Molecular FormulaC16H34O3Si2
Molecular Weight330.62 g/mol
Exact Mass330.20
IUPAC Name(2S,3R)-3-[tert-butyl(dimethyl)silyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@@]1(C=O)O[C@@H]1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3Si2/c1-14(2,3)20(7,8)13-16(11-17,19-13)12-18-21(9,10)15(4,5)6/h11,13H,12H2,1-10H3/t13-,16-/m1/s1
InChIKeyQXFNPLWTSJNYMD-CZUORRHYSA-N
XLogP4.39
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.62
LogP ≤ 54.39
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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Related Compounds

(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropanal
CID 44517038
(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropanal
CID 72707832
2,3-Bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropanal
CID 75039555

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[tert-butyl(dimethyl)silyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde?
The IUPAC name of (2S,3R)-3-[tert-butyl(dimethyl)silyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde (CID 11580763) is (2S,3R)-3-[tert-butyl(dimethyl)silyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde.
What is the SMILES notation for (2S,3R)-3-[tert-butyl(dimethyl)silyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde?
The canonical SMILES for (2S,3R)-3-[tert-butyl(dimethyl)silyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde is CC(C)(C)[Si](C)(C)OC[C@@]1(C=O)O[C@@H]1[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R)-3-[tert-butyl(dimethyl)silyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde?
The InChIKey is QXFNPLWTSJNYMD-CZUORRHYSA-N. The full InChI is InChI=1S/C16H34O3Si2/c1-14(2,3)20(7,8)13-16(11-17,19-13)12-18-21(9,10)15(4,5)6/h11,13H,12H2,1-10H3/t13-,16-/m1/s1.
What are the key properties of (2S,3R)-3-[tert-butyl(dimethyl)silyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde?
(2S,3R)-3-[tert-butyl(dimethyl)silyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde has a molecular weight of 330.62 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[tert-butyl(dimethyl)silyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde is sourced from PubChem (CID 11580763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).