2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal

C15H34O3Si2 — CID 71337298

IUPAC2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal
SMILESCC(C)(C)[Si](C)(C)OCC(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H34O3Si2/c1-14(2,3)19(7,8)17-12-13(11-16)18-20(9,10)15(4,5)6/h11,13H,12H2,1-10H3
InChIKeyHGQDWFXAJXAVJO-UHFFFAOYSA-N
MW318.61 g/mol
LogP4.60
Rot. Bonds6

About 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal

2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal (PubChem CID 71337298) has the molecular formula C15H34O3Si2 and a molecular weight of 318.61 g/mol. Its IUPAC name is 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal.

Molecular Properties

Compound Name2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal
PubChem CID71337298
Molecular FormulaC15H34O3Si2
Molecular Weight318.61 g/mol
Exact Mass318.20
IUPAC Name2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal
SMILESCC(C)(C)[Si](C)(C)OCC(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H34O3Si2/c1-14(2,3)19(7,8)17-12-13(11-16)18-20(9,10)15(4,5)6/h11,13H,12H2,1-10H3
InChIKeyHGQDWFXAJXAVJO-UHFFFAOYSA-N
XLogP4.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.61
LogP ≤ 54.60
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal?
The IUPAC name of 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal (CID 71337298) is 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal.
What is the SMILES notation for 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal?
The canonical SMILES for 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal is CC(C)(C)[Si](C)(C)OCC(C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal?
The InChIKey is HGQDWFXAJXAVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O3Si2/c1-14(2,3)19(7,8)17-12-13(11-16)18-20(9,10)15(4,5)6/h11,13H,12H2,1-10H3.
What are the key properties of 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal?
2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal has a molecular weight of 318.61 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanal is sourced from PubChem (CID 71337298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).