[(2S,3S,4R)-2,4-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane

C18H44O3Si3 — CID 91758702

IUPAC[(2S,3S,4R)-2,4-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane
SMILESCC[C@@H](O[Si](C)(C)CC)[C@@H](O[Si](C)(C)CC)[C@H](C)O[Si](C)(C)CC
InChIInChI=1S/C18H44O3Si3/c1-12-17(20-23(8,9)14-3)18(21-24(10,11)15-4)16(5)19-22(6,7)13-2/h16-18H,12-15H2,1-11H3/t16-,17+,18-/m0/s1
InChIKeyKUSMDKOOBOPPSF-KSZLIROESA-N
MW392.81 g/mol
LogP6.25
Rot. Bonds12

About [(2S,3S,4R)-2,4-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane

[(2S,3S,4R)-2,4-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane (PubChem CID 91758702) has the molecular formula C18H44O3Si3 and a molecular weight of 392.81 g/mol. Its IUPAC name is [(2S,3S,4R)-2,4-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane.

Molecular Properties

Compound Name[(2S,3S,4R)-2,4-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane
PubChem CID91758702
Molecular FormulaC18H44O3Si3
Molecular Weight392.81 g/mol
Exact Mass392.26
IUPAC Name[(2S,3S,4R)-2,4-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane
SMILESCC[C@@H](O[Si](C)(C)CC)[C@@H](O[Si](C)(C)CC)[C@H](C)O[Si](C)(C)CC
InChIInChI=1S/C18H44O3Si3/c1-12-17(20-23(8,9)14-3)18(21-24(10,11)15-4)16(5)19-22(6,7)13-2/h16-18H,12-15H2,1-11H3/t16-,17+,18-/m0/s1
InChIKeyKUSMDKOOBOPPSF-KSZLIROESA-N
XLogP6.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.81
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Butane, 1,2,3-tris(trimethylsiloxy)-
CID 552869
1,3-Butanediol, bis-DMTBS
CID 14176658
D-Erythro-Pentitol, 2-deoxy-1,3,4,5-tetrakis-O-(trimethylsilyl)-
CID 552765
Propane, 1,2,3-tris[(tert-butyldimethylsilyl)oxy]-
CID 560661
Ribitol, 1,2,3,4,5-pentakis-O-(trimethylsilyl)-
CID 14534972
Arabitol, pentakis(trimethylsilyl)-
CID 91746473
5,5,11,11-Tetrabutyl-7,9-dimethyl-6,10-dioxa-5,11-disilapentadecane
CID 71380604
Trimethylsilyl ether of xylitol
CID 518901
2,3-Pentanediol, di-TMS
CID 528637
Silane, dimethyl(dimethyl(2-hexyloxy)silyloxy)hexyloxy-
CID 54770327
Silane, diethylbutoxy(3-heptyloxy)-
CID 91719426
Silane, diethylbutoxy(4-octyloxy)-
CID 91719427

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R)-2,4-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane?
The IUPAC name of [(2S,3S,4R)-2,4-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane (CID 91758702) is [(2S,3S,4R)-2,4-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane.
What is the SMILES notation for [(2S,3S,4R)-2,4-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane?
The canonical SMILES for [(2S,3S,4R)-2,4-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane is CC[C@@H](O[Si](C)(C)CC)[C@@H](O[Si](C)(C)CC)[C@H](C)O[Si](C)(C)CC.
What is the InChIKey of [(2S,3S,4R)-2,4-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane?
The InChIKey is KUSMDKOOBOPPSF-KSZLIROESA-N. The full InChI is InChI=1S/C18H44O3Si3/c1-12-17(20-23(8,9)14-3)18(21-24(10,11)15-4)16(5)19-22(6,7)13-2/h16-18H,12-15H2,1-11H3/t16-,17+,18-/m0/s1.
What are the key properties of [(2S,3S,4R)-2,4-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane?
[(2S,3S,4R)-2,4-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane has a molecular weight of 392.81 g/mol, XLogP of 6.25, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R)-2,4-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane is sourced from PubChem (CID 91758702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).