1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-dione

C16H34O4Si2 — CID 10712635

IUPAC1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-dione
SMILESCC(C)(C)[Si](C)(C)OCC(=O)C(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O4Si2/c1-15(2,3)21(7,8)19-11-13(17)14(18)12-20-22(9,10)16(4,5)6/h11-12H2,1-10H3
InChIKeyAGDYDVGRBPPCLD-UHFFFAOYSA-N
MW346.62 g/mol
LogP4.17
Rot. Bonds7

About 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-dione

1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-dione (PubChem CID 10712635) has the molecular formula C16H34O4Si2 and a molecular weight of 346.62 g/mol. Its IUPAC name is 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-dione.

Molecular Properties

Compound Name1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-dione
PubChem CID10712635
Molecular FormulaC16H34O4Si2
Molecular Weight346.62 g/mol
Exact Mass346.20
IUPAC Name1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-dione
SMILESCC(C)(C)[Si](C)(C)OCC(=O)C(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O4Si2/c1-15(2,3)21(7,8)19-11-13(17)14(18)12-20-22(9,10)16(4,5)6/h11-12H2,1-10H3
InChIKeyAGDYDVGRBPPCLD-UHFFFAOYSA-N
XLogP4.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.62
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

D(-)-Erythrose, ketol, TMS
CID 91750475
3,4-Di(t-butyldimethylsilyloxy)pentan-2-one
CID 14281427
1,4-Bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-one
CID 11336529
1,4-Bis[[tert-butyl(dimethyl)silyl]oxy]-3-tri(propan-2-yl)silyloxybutan-2-one
CID 102264915

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-dione?
The IUPAC name of 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-dione (CID 10712635) is 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-dione.
What is the SMILES notation for 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-dione?
The canonical SMILES for 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-dione is CC(C)(C)[Si](C)(C)OCC(=O)C(=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-dione?
The InChIKey is AGDYDVGRBPPCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4Si2/c1-15(2,3)21(7,8)19-11-13(17)14(18)12-20-22(9,10)16(4,5)6/h11-12H2,1-10H3.
What are the key properties of 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-dione?
1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-dione has a molecular weight of 346.62 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-dione is sourced from PubChem (CID 10712635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).