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

C22H54O4Si4 — CID 91758720

IUPAC[(1R,2R,3S)-2,3-bis[[ethyl(dimethyl)silyl]oxy]-1-[(1R)-1-[ethyl(dimethyl)silyl]oxyethyl]butoxy]-ethyl-dimethylsilane
SMILESCC[Si](C)(C)O[C@@H]([C@H](O[Si](C)(C)CC)[C@@H](C)O[Si](C)(C)CC)[C@H](C)O[Si](C)(C)CC
InChIInChI=1S/C22H54O4Si4/c1-15-27(7,8)23-19(5)21(25-29(11,12)17-3)22(26-30(13,14)18-4)20(6)24-28(9,10)16-2/h19-22H,15-18H2,1-14H3/t19-,20+,21-,22-/m1/s1
InChIKeyKAXAVDRDRSQJKG-CIAFKFPVSA-N
MW495.01 g/mol
LogP7.47
Rot. Bonds15

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

[(1R,2R,3S)-2,3-bis[[ethyl(dimethyl)silyl]oxy]-1-[(1R)-1-[ethyl(dimethyl)silyl]oxyethyl]butoxy]-ethyl-dimethylsilane (PubChem CID 91758720) has the molecular formula C22H54O4Si4 and a molecular weight of 495.01 g/mol. Its IUPAC name is [(1R,2R,3S)-2,3-bis[[ethyl(dimethyl)silyl]oxy]-1-[(1R)-1-[ethyl(dimethyl)silyl]oxyethyl]butoxy]-ethyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,2R,3S)-2,3-bis[[ethyl(dimethyl)silyl]oxy]-1-[(1R)-1-[ethyl(dimethyl)silyl]oxyethyl]butoxy]-ethyl-dimethylsilane
PubChem CID91758720
Molecular FormulaC22H54O4Si4
Molecular Weight495.01 g/mol
Exact Mass494.31
IUPAC Name[(1R,2R,3S)-2,3-bis[[ethyl(dimethyl)silyl]oxy]-1-[(1R)-1-[ethyl(dimethyl)silyl]oxyethyl]butoxy]-ethyl-dimethylsilane
SMILESCC[Si](C)(C)O[C@@H]([C@H](O[Si](C)(C)CC)[C@@H](C)O[Si](C)(C)CC)[C@H](C)O[Si](C)(C)CC
InChIInChI=1S/C22H54O4Si4/c1-15-27(7,8)23-19(5)21(25-29(11,12)17-3)22(26-30(13,14)18-4)20(6)24-28(9,10)16-2/h19-22H,15-18H2,1-14H3/t19-,20+,21-,22-/m1/s1
InChIKeyKAXAVDRDRSQJKG-CIAFKFPVSA-N
XLogP7.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.01
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

L-Sorbitol TMS
CID 518921
D-Erythro-Pentitol, 2-deoxy-1,3,4,5-tetrakis-O-(trimethylsilyl)-
CID 552765
1,2,3,4,5,6-Hexakis-O-(trimethylsilyl)-D-glucitol
CID 13829212
D-Mannitol, TMS
CID 13829214
Trimethylsilyldulcitol
CID 13829215
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
Threitol, 1,2,3,4-tetrakis-O-(trimethylsilyl)-, D-
CID 519588
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 [(1R,2R,3S)-2,3-bis[[ethyl(dimethyl)silyl]oxy]-1-[(1R)-1-[ethyl(dimethyl)silyl]oxyethyl]butoxy]-ethyl-dimethylsilane?
The IUPAC name of [(1R,2R,3S)-2,3-bis[[ethyl(dimethyl)silyl]oxy]-1-[(1R)-1-[ethyl(dimethyl)silyl]oxyethyl]butoxy]-ethyl-dimethylsilane (CID 91758720) is [(1R,2R,3S)-2,3-bis[[ethyl(dimethyl)silyl]oxy]-1-[(1R)-1-[ethyl(dimethyl)silyl]oxyethyl]butoxy]-ethyl-dimethylsilane.
What is the SMILES notation for [(1R,2R,3S)-2,3-bis[[ethyl(dimethyl)silyl]oxy]-1-[(1R)-1-[ethyl(dimethyl)silyl]oxyethyl]butoxy]-ethyl-dimethylsilane?
The canonical SMILES for [(1R,2R,3S)-2,3-bis[[ethyl(dimethyl)silyl]oxy]-1-[(1R)-1-[ethyl(dimethyl)silyl]oxyethyl]butoxy]-ethyl-dimethylsilane is CC[Si](C)(C)O[C@@H]([C@H](O[Si](C)(C)CC)[C@@H](C)O[Si](C)(C)CC)[C@H](C)O[Si](C)(C)CC.
What is the InChIKey of [(1R,2R,3S)-2,3-bis[[ethyl(dimethyl)silyl]oxy]-1-[(1R)-1-[ethyl(dimethyl)silyl]oxyethyl]butoxy]-ethyl-dimethylsilane?
The InChIKey is KAXAVDRDRSQJKG-CIAFKFPVSA-N. The full InChI is InChI=1S/C22H54O4Si4/c1-15-27(7,8)23-19(5)21(25-29(11,12)17-3)22(26-30(13,14)18-4)20(6)24-28(9,10)16-2/h19-22H,15-18H2,1-14H3/t19-,20+,21-,22-/m1/s1.
What are the key properties of [(1R,2R,3S)-2,3-bis[[ethyl(dimethyl)silyl]oxy]-1-[(1R)-1-[ethyl(dimethyl)silyl]oxyethyl]butoxy]-ethyl-dimethylsilane?
[(1R,2R,3S)-2,3-bis[[ethyl(dimethyl)silyl]oxy]-1-[(1R)-1-[ethyl(dimethyl)silyl]oxyethyl]butoxy]-ethyl-dimethylsilane has a molecular weight of 495.01 g/mol, XLogP of 7.47, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3S)-2,3-bis[[ethyl(dimethyl)silyl]oxy]-1-[(1R)-1-[ethyl(dimethyl)silyl]oxyethyl]butoxy]-ethyl-dimethylsilane is sourced from PubChem (CID 91758720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).