bis(trimethylsilyl) 2-trimethylsilyloxyhexanedioate

C15H34O5Si3 — CID 533402

IUPACbis(trimethylsilyl) 2-trimethylsilyloxyhexanedioate
SMILESC[Si](C)(C)OC(=O)CCCC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H34O5Si3/c1-21(2,3)18-13(15(17)20-23(7,8)9)11-10-12-14(16)19-22(4,5)6/h13H,10-12H2,1-9H3
InChIKeySCMUEAPKCNESEW-UHFFFAOYSA-N
MW378.69 g/mol
LogP4.13
Rot. Bonds9

About bis(trimethylsilyl) 2-trimethylsilyloxyhexanedioate

bis(trimethylsilyl) 2-trimethylsilyloxyhexanedioate (PubChem CID 533402) has the molecular formula C15H34O5Si3 and a molecular weight of 378.69 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-trimethylsilyloxyhexanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-trimethylsilyloxyhexanedioate
PubChem CID533402
Molecular FormulaC15H34O5Si3
Molecular Weight378.69 g/mol
Exact Mass378.17
IUPAC Namebis(trimethylsilyl) 2-trimethylsilyloxyhexanedioate
SMILESC[Si](C)(C)OC(=O)CCCC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H34O5Si3/c1-21(2,3)18-13(15(17)20-23(7,8)9)11-10-12-14(16)19-22(4,5)6/h13H,10-12H2,1-9H3
InChIKeySCMUEAPKCNESEW-UHFFFAOYSA-N
XLogP4.13
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.69
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Hexanoic acid, 2-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 521552
D-Glucuronic acid, 2,3,4,5-tetrakis-O-(trimethylsilyl)-, trimethylsilyl ester
CID 521649
D-Ribo-Hexonic acid, 3-deoxy-2,5,6-tris-O-(trimethylsilyl)-, lactone
CID 523364
Saccharic acid, TMS # 1
CID 523400
5-Hydroxyhexanoic acid diTMS
CID 526007
Glucaric acid, 2,3,4,5-tetrakis-O-(trimethylsilyl)-, bis(trimethylsilyl) ester
CID 553859
Glucuronic acid, TMS # 1
CID 22211710
(3R,5S)-5-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-3-trimethylsilyloxyoxolan-2-one
CID 90886460
Galactonic acid, hexakis-TMS
CID 523309
2,6-Dideoxy-ribo-hexonic acid, tetrakis-TMS
CID 523320
1,6-Bis(trimethylsilyl) 2-deoxy-3,4,5-tris-O-(trimethylsilyl)arabino-hexarate
CID 523330
2-Deoxy-lyxo-hexonic acid, pentakis-TMS
CID 523337

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2-trimethylsilyloxyhexanedioate?
The IUPAC name of bis(trimethylsilyl) 2-trimethylsilyloxyhexanedioate (CID 533402) is bis(trimethylsilyl) 2-trimethylsilyloxyhexanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-trimethylsilyloxyhexanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-trimethylsilyloxyhexanedioate is C[Si](C)(C)OC(=O)CCCC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2-trimethylsilyloxyhexanedioate?
The InChIKey is SCMUEAPKCNESEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O5Si3/c1-21(2,3)18-13(15(17)20-23(7,8)9)11-10-12-14(16)19-22(4,5)6/h13H,10-12H2,1-9H3.
What are the key properties of bis(trimethylsilyl) 2-trimethylsilyloxyhexanedioate?
bis(trimethylsilyl) 2-trimethylsilyloxyhexanedioate has a molecular weight of 378.69 g/mol, XLogP of 4.13, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2-trimethylsilyloxyhexanedioate is sourced from PubChem (CID 533402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).