trimethylsilyl 4,5,6-tris(trimethylsilyloxy)hexanoate

C18H44O5Si4 — CID 91753756

IUPACtrimethylsilyl 4,5,6-tris(trimethylsilyloxy)hexanoate
SMILESC[Si](C)(C)OCC(O[Si](C)(C)C)C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H44O5Si4/c1-24(2,3)20-15-17(22-26(7,8)9)16(21-25(4,5)6)13-14-18(19)23-27(10,11)12/h16-17H,13-15H2,1-12H3
InChIKeyCKLDRBXVBGLNHD-UHFFFAOYSA-N
MW452.89 g/mol
LogP5.44
Rot. Bonds12

About trimethylsilyl 4,5,6-tris(trimethylsilyloxy)hexanoate

trimethylsilyl 4,5,6-tris(trimethylsilyloxy)hexanoate (PubChem CID 91753756) has the molecular formula C18H44O5Si4 and a molecular weight of 452.89 g/mol. Its IUPAC name is trimethylsilyl 4,5,6-tris(trimethylsilyloxy)hexanoate.

Molecular Properties

Compound Nametrimethylsilyl 4,5,6-tris(trimethylsilyloxy)hexanoate
PubChem CID91753756
Molecular FormulaC18H44O5Si4
Molecular Weight452.89 g/mol
Exact Mass452.23
IUPAC Nametrimethylsilyl 4,5,6-tris(trimethylsilyloxy)hexanoate
SMILESC[Si](C)(C)OCC(O[Si](C)(C)C)C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H44O5Si4/c1-24(2,3)20-15-17(22-26(7,8)9)16(21-25(4,5)6)13-14-18(19)23-27(10,11)12/h16-17H,13-15H2,1-12H3
InChIKeyCKLDRBXVBGLNHD-UHFFFAOYSA-N
XLogP5.44
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.89
LogP ≤ 55.44
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

D-Glucuronic acid, 2,3,4,5-tetrakis-O-(trimethylsilyl)-, trimethylsilyl ester
CID 521649
Arabino-Hexonic acid, 2-deoxy-3,5,6-tris-O-(trimethylsilyl)-, gamma-lactone
CID 523331
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
(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-one
CID 10499676
(3R,5S)-5-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-3-trimethylsilyloxyoxolan-2-one
CID 90886460
methyl (3S,5R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyhexanoate
CID 102361535

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 4,5,6-tris(trimethylsilyloxy)hexanoate?
The IUPAC name of trimethylsilyl 4,5,6-tris(trimethylsilyloxy)hexanoate (CID 91753756) is trimethylsilyl 4,5,6-tris(trimethylsilyloxy)hexanoate.
What is the SMILES notation for trimethylsilyl 4,5,6-tris(trimethylsilyloxy)hexanoate?
The canonical SMILES for trimethylsilyl 4,5,6-tris(trimethylsilyloxy)hexanoate is C[Si](C)(C)OCC(O[Si](C)(C)C)C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 4,5,6-tris(trimethylsilyloxy)hexanoate?
The InChIKey is CKLDRBXVBGLNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H44O5Si4/c1-24(2,3)20-15-17(22-26(7,8)9)16(21-25(4,5)6)13-14-18(19)23-27(10,11)12/h16-17H,13-15H2,1-12H3.
What are the key properties of trimethylsilyl 4,5,6-tris(trimethylsilyloxy)hexanoate?
trimethylsilyl 4,5,6-tris(trimethylsilyloxy)hexanoate has a molecular weight of 452.89 g/mol, XLogP of 5.44, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 4,5,6-tris(trimethylsilyloxy)hexanoate is sourced from PubChem (CID 91753756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).