trimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate

C21H50O7Si5 — CID 553415

IUPACtrimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate
SMILESC[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C21H50O7Si5/c1-29(2,3)24-16-17(25-30(4,5)6)19(26-31(7,8)9)21(28-33(13,14)15)23-18(16)20(22)27-32(10,11)12/h16-19,21H,1-15H3
InChIKeyZJKACRRFXMWHBG-UHFFFAOYSA-N
MW555.05 g/mol
LogP5.60
Rot. Bonds10

About trimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate

trimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate (PubChem CID 553415) has the molecular formula C21H50O7Si5 and a molecular weight of 555.05 g/mol. Its IUPAC name is trimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate
PubChem CID553415
Molecular FormulaC21H50O7Si5
Molecular Weight555.05 g/mol
Exact Mass554.24
IUPAC Nametrimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate
SMILESC[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C21H50O7Si5/c1-29(2,3)24-16-17(25-30(4,5)6)19(26-31(7,8)9)21(28-33(13,14)15)23-18(16)20(22)27-32(10,11)12/h16-19,21H,1-15H3
InChIKeyZJKACRRFXMWHBG-UHFFFAOYSA-N
XLogP5.60
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.05
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze trimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate 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

(3R,4S,5R,6R)-3,4,5-Tris-trimethylsilanyloxy-6-trimethylsilanyloxymethyl-tetrahydro-pyran-2-on
CID 10994280
3,4,5-Tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 523407
beta-D-Glucopyranuronic acid, ethyl ester, tetraacetate
CID 90475825
methyl (2S,3S,4S,5R,6S)-3,4,5-trimethoxy-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxyoxane-2-carboxylate
CID 162888423
methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-propan-2-yloxyoxane-2-carboxylate
CID 11268875
(3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one
CID 11763588
(3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-one
CID 140966522
(3R,4R,5R,6R)-5-fluoro-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 147712641
Idonic acid, 2,3,5,6-tetrakis-O-(trimethylsilyl)-, lactone
CID 523382
Glucaric acid, 2,3,5-tris-O-(trimethylsilyl)-, gamma-lactone, 6-(trimethylsilyl) ester
CID 553475
D-Glucurono-gamma-lactone (isomer 1), 3TMS derivative
CID 553537
Methyl glucuronide, TMS
CID 609395

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate?
The IUPAC name of trimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate (CID 553415) is trimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate.
What is the SMILES notation for trimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate?
The canonical SMILES for trimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate is C[Si](C)(C)OC(=O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate?
The InChIKey is ZJKACRRFXMWHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H50O7Si5/c1-29(2,3)24-16-17(25-30(4,5)6)19(26-31(7,8)9)21(28-33(13,14)15)23-18(16)20(22)27-32(10,11)12/h16-19,21H,1-15H3.
What are the key properties of trimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate?
trimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate has a molecular weight of 555.05 g/mol, XLogP of 5.60, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3,4,5,6-tetrakis(trimethylsilyloxy)oxane-2-carboxylate is sourced from PubChem (CID 553415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).