bis(trimethylsilyl) 2,5-bis(trimethylsilyloxy)hexanedioate

C18H42O6Si4 — CID 523344

IUPACbis(trimethylsilyl) 2,5-bis(trimethylsilyloxy)hexanedioate
SMILESC[Si](C)(C)OC(=O)C(CCC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H42O6Si4/c1-25(2,3)21-15(17(19)23-27(7,8)9)13-14-16(22-26(4,5)6)18(20)24-28(10,11)12/h15-16H,13-14H2,1-12H3
InChIKeyHJYBMEQUUKHGAZ-UHFFFAOYSA-N
MW466.87 g/mol
LogP4.96
Rot. Bonds11

About bis(trimethylsilyl) 2,5-bis(trimethylsilyloxy)hexanedioate

bis(trimethylsilyl) 2,5-bis(trimethylsilyloxy)hexanedioate (PubChem CID 523344) has the molecular formula C18H42O6Si4 and a molecular weight of 466.87 g/mol. Its IUPAC name is bis(trimethylsilyl) 2,5-bis(trimethylsilyloxy)hexanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2,5-bis(trimethylsilyloxy)hexanedioate
PubChem CID523344
Molecular FormulaC18H42O6Si4
Molecular Weight466.87 g/mol
Exact Mass466.21
IUPAC Namebis(trimethylsilyl) 2,5-bis(trimethylsilyloxy)hexanedioate
SMILESC[Si](C)(C)OC(=O)C(CCC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H42O6Si4/c1-25(2,3)21-15(17(19)23-27(7,8)9)13-14-16(22-26(4,5)6)18(20)24-28(10,11)12/h15-16H,13-14H2,1-12H3
InChIKeyHJYBMEQUUKHGAZ-UHFFFAOYSA-N
XLogP4.96
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.87
LogP ≤ 54.96
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

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
Hexanedioic acid, 2-trimethylsilyloxy-, bis(trimethylsilyl) ester
CID 533402
Glucaric acid, 2,3,4,5-tetrakis-O-(trimethylsilyl)-, bis(trimethylsilyl) ester
CID 553859
Glucuronic acid, TMS # 1
CID 22211710
Glucoheptonic acid (7tms)
CID 91749906
(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

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2,5-bis(trimethylsilyloxy)hexanedioate?
The IUPAC name of bis(trimethylsilyl) 2,5-bis(trimethylsilyloxy)hexanedioate (CID 523344) is bis(trimethylsilyl) 2,5-bis(trimethylsilyloxy)hexanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2,5-bis(trimethylsilyloxy)hexanedioate?
The canonical SMILES for bis(trimethylsilyl) 2,5-bis(trimethylsilyloxy)hexanedioate is C[Si](C)(C)OC(=O)C(CCC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2,5-bis(trimethylsilyloxy)hexanedioate?
The InChIKey is HJYBMEQUUKHGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42O6Si4/c1-25(2,3)21-15(17(19)23-27(7,8)9)13-14-16(22-26(4,5)6)18(20)24-28(10,11)12/h15-16H,13-14H2,1-12H3.
What are the key properties of bis(trimethylsilyl) 2,5-bis(trimethylsilyloxy)hexanedioate?
bis(trimethylsilyl) 2,5-bis(trimethylsilyloxy)hexanedioate has a molecular weight of 466.87 g/mol, XLogP of 4.96, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2,5-bis(trimethylsilyloxy)hexanedioate is sourced from PubChem (CID 523344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).