1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[3.2.1]octan-7-one

C19H38O4Si2 — CID 86660516

IUPAC1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[3.2.1]octan-7-one
SMILESCC(C)(C)[Si](C)(C)OC1CCC2(O[Si](C)(C)C(C)(C)C)CC1OC2=O
InChIInChI=1S/C19H38O4Si2/c1-17(2,3)24(7,8)22-14-11-12-19(13-15(14)21-16(19)20)23-25(9,10)18(4,5)6/h14-15H,11-13H2,1-10H3
InChIKeyXDPBSLKYIYMVAU-UHFFFAOYSA-N
MW386.68 g/mol
LogP5.25
Rot. Bonds4

About 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[3.2.1]octan-7-one

1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[3.2.1]octan-7-one (PubChem CID 86660516) has the molecular formula C19H38O4Si2 and a molecular weight of 386.68 g/mol. Its IUPAC name is 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[3.2.1]octan-7-one
PubChem CID86660516
Molecular FormulaC19H38O4Si2
Molecular Weight386.68 g/mol
Exact Mass386.23
IUPAC Name1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[3.2.1]octan-7-one
SMILESCC(C)(C)[Si](C)(C)OC1CCC2(O[Si](C)(C)C(C)(C)C)CC1OC2=O
InChIInChI=1S/C19H38O4Si2/c1-17(2,3)24(7,8)22-14-11-12-19(13-15(14)21-16(19)20)23-25(9,10)18(4,5)6/h14-15H,11-13H2,1-10H3
InChIKeyXDPBSLKYIYMVAU-UHFFFAOYSA-N
XLogP5.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.68
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[3.2.1]octan-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,3R,4S,5R)-3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-1,4-dihydroxy-6-oxabicyclo[3.2.1]octan-7-one
CID 11781203
Quininic acid (5TMS)
CID 525046
(1R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-6-oxabicyclo[3.2.1]octane-3,7-dione
CID 10541218
(1S,2S,3R,4S,5R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-triethylsilyloxy-6-oxabicyclo[3.2.1]octan-7-one
CID 11827413
(1R,4R,5R)-4-tri(propan-2-yl)silyloxy-6-oxabicyclo[3.2.1]octan-7-one
CID 14720519
Lclt517B
CID 139191839
(1S,2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-1-hydroxy-6-oxabicyclo[3.2.1]octane-3,7-dione
CID 10780839
dl-Triacetylquinide
CID 430685
[(1R,3R,4S,5R)-1,4-diacetyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-3-yl] acetate
CID 6545447
Quinic acid, TMS
CID 6427786
Methyl 1,3,4,5-tetrakis[(trimethylsilyl)oxy]cyclohexanecarboxylate
CID 631359
methyl (1S,3R,4S,5S,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-7-oxabicyclo[4.1.0]heptane-1-carboxylate
CID 15720344

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[3.2.1]octan-7-one?
The IUPAC name of 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[3.2.1]octan-7-one (CID 86660516) is 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[3.2.1]octan-7-one?
The canonical SMILES for 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[3.2.1]octan-7-one is CC(C)(C)[Si](C)(C)OC1CCC2(O[Si](C)(C)C(C)(C)C)CC1OC2=O.
What is the InChIKey of 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[3.2.1]octan-7-one?
The InChIKey is XDPBSLKYIYMVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O4Si2/c1-17(2,3)24(7,8)22-14-11-12-19(13-15(14)21-16(19)20)23-25(9,10)18(4,5)6/h14-15H,11-13H2,1-10H3.
What are the key properties of 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[3.2.1]octan-7-one?
1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[3.2.1]octan-7-one has a molecular weight of 386.68 g/mol, XLogP of 5.25, 4 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]-6-oxabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 86660516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).