[(2R,3S)-1,2-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane

C18H44O3Si3 — CID 91758721

IUPAC[(2R,3S)-1,2-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane
SMILESCCC[C@H](O[Si](C)(C)CC)[C@@H](CO[Si](C)(C)CC)O[Si](C)(C)CC
InChIInChI=1S/C18H44O3Si3/c1-11-15-17(20-23(7,8)13-3)18(21-24(9,10)14-4)16-19-22(5,6)12-2/h17-18H,11-16H2,1-10H3/t17-,18+/m0/s1
InChIKeyUUGFGQIYSDTNSL-ZWKOTPCHSA-N
MW392.81 g/mol
LogP6.25
Rot. Bonds13

About [(2R,3S)-1,2-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane

[(2R,3S)-1,2-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane (PubChem CID 91758721) has the molecular formula C18H44O3Si3 and a molecular weight of 392.81 g/mol. Its IUPAC name is [(2R,3S)-1,2-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3S)-1,2-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane
PubChem CID91758721
Molecular FormulaC18H44O3Si3
Molecular Weight392.81 g/mol
Exact Mass392.26
IUPAC Name[(2R,3S)-1,2-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane
SMILESCCC[C@H](O[Si](C)(C)CC)[C@@H](CO[Si](C)(C)CC)O[Si](C)(C)CC
InChIInChI=1S/C18H44O3Si3/c1-11-15-17(20-23(7,8)13-3)18(21-24(9,10)14-4)16-19-22(5,6)12-2/h17-18H,11-16H2,1-10H3/t17-,18+/m0/s1
InChIKeyUUGFGQIYSDTNSL-ZWKOTPCHSA-N
XLogP6.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
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

Silane, dimethyldi(2-heptyloxy)-
CID 85694061
L-Sorbitol TMS
CID 518921
Dihexyloxydiethylsilane
CID 525744
1,2,3,4,5,6-Hexakis-O-(trimethylsilyl)-D-glucitol
CID 13829212
D-Mannitol, TMS
CID 13829214
Trimethylsilyldulcitol
CID 13829215
tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodoheptan-2-yl]oxy-dimethylsilane
CID 154722299
5,5,11,11-Tetrabutyl-7,9-dimethyl-6,10-dioxa-5,11-disilapentadecane
CID 71380604
2,3-Pentanediol, di-TMS
CID 528637
1,2-Heptadecanediol, di-TMS
CID 528978
L-Fucitol TMS
CID 529419
2-Deoxy-d-lyxo-hexitol 1,3,4,5,6-penta-O-trimethylsilyl ether
CID 552764

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-1,2-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane?
The IUPAC name of [(2R,3S)-1,2-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane (CID 91758721) is [(2R,3S)-1,2-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane.
What is the SMILES notation for [(2R,3S)-1,2-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane?
The canonical SMILES for [(2R,3S)-1,2-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane is CCC[C@H](O[Si](C)(C)CC)[C@@H](CO[Si](C)(C)CC)O[Si](C)(C)CC.
What is the InChIKey of [(2R,3S)-1,2-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane?
The InChIKey is UUGFGQIYSDTNSL-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H44O3Si3/c1-11-15-17(20-23(7,8)13-3)18(21-24(9,10)14-4)16-19-22(5,6)12-2/h17-18H,11-16H2,1-10H3/t17-,18+/m0/s1.
What are the key properties of [(2R,3S)-1,2-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane?
[(2R,3S)-1,2-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane has a molecular weight of 392.81 g/mol, XLogP of 6.25, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-1,2-bis[[ethyl(dimethyl)silyl]oxy]hexan-3-yl]oxy-ethyl-dimethylsilane is sourced from PubChem (CID 91758721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).