2,3,6-tris(trimethylsilyloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one

C15H32O6Si3 — CID 553537

IUPAC2,3,6-tris(trimethylsilyloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
SMILESC[Si](C)(C)OC1OC2C(O[Si](C)(C)C)C(=O)OC2C1O[Si](C)(C)C
InChIInChI=1S/C15H32O6Si3/c1-22(2,3)19-12-10-11(17-14(12)16)13(20-23(4,5)6)15(18-10)21-24(7,8)9/h10-13,15H,1-9H3
InChIKeyXYVSGYLYEFHXSB-UHFFFAOYSA-N
MW392.67 g/mol
LogP2.93
Rot. Bonds6

About 2,3,6-tris(trimethylsilyloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one

2,3,6-tris(trimethylsilyloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one (PubChem CID 553537) has the molecular formula C15H32O6Si3 and a molecular weight of 392.67 g/mol. Its IUPAC name is 2,3,6-tris(trimethylsilyloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one.

Molecular Properties

Compound Name2,3,6-tris(trimethylsilyloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
PubChem CID553537
Molecular FormulaC15H32O6Si3
Molecular Weight392.67 g/mol
Exact Mass392.15
IUPAC Name2,3,6-tris(trimethylsilyloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
SMILESC[Si](C)(C)OC1OC2C(O[Si](C)(C)C)C(=O)OC2C1O[Si](C)(C)C
InChIInChI=1S/C15H32O6Si3/c1-22(2,3)19-12-10-11(17-14(12)16)13(20-23(4,5)6)15(18-10)21-24(7,8)9/h10-13,15H,1-9H3
InChIKeyXYVSGYLYEFHXSB-UHFFFAOYSA-N
XLogP2.93
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.67
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Idonic acid, 2,3,5,6-tetrakis-O-(trimethylsilyl)-, lactone
CID 523382
D-(+)-Galacturonic acid, 5TMS derivative
CID 553415
Glucaric acid, 2,3,5-tris-O-(trimethylsilyl)-, gamma-lactone, 6-(trimethylsilyl) ester
CID 553475
Glucuronic lactone, tris(trimethylsilyl)-
CID 553539
(1S,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one
CID 10958487
(3S,4R,5S)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one
CID 25228161
6-Deoxygalactonic acid, 1,4-lactone, TMS
CID 6427166
6-Deoxymannonic acid, 1,4-lactone, TMS
CID 6427167
Glucuronic acid TMS
CID 22214290
Mannonic acid, 2,3,5,6-tetrakis-O-(trimethylsilyl)-, lactone
CID 91746628
Idonic acid, 1,4-lactone, tetrakis-TMS
CID 91746629
Gluconic acid, 1,4-lactone, tetrakis-TMS
CID 91746630

Frequently Asked Questions

What is the IUPAC name of 2,3,6-tris(trimethylsilyloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The IUPAC name of 2,3,6-tris(trimethylsilyloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one (CID 553537) is 2,3,6-tris(trimethylsilyloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one.
What is the SMILES notation for 2,3,6-tris(trimethylsilyloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The canonical SMILES for 2,3,6-tris(trimethylsilyloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one is C[Si](C)(C)OC1OC2C(O[Si](C)(C)C)C(=O)OC2C1O[Si](C)(C)C.
What is the InChIKey of 2,3,6-tris(trimethylsilyloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The InChIKey is XYVSGYLYEFHXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O6Si3/c1-22(2,3)19-12-10-11(17-14(12)16)13(20-23(4,5)6)15(18-10)21-24(7,8)9/h10-13,15H,1-9H3.
What are the key properties of 2,3,6-tris(trimethylsilyloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
2,3,6-tris(trimethylsilyloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one has a molecular weight of 392.67 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-tris(trimethylsilyloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one is sourced from PubChem (CID 553537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).