1-[(2R,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanol

C20H40O5Si — CID 23243307

IUPAC1-[(2R,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanol
SMILESCC(O)[C@H]1OCCC[C@@H]1O[C@@H]1CCCO[C@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O5Si/c1-15(21)19-18(10-8-13-23-19)25-17-9-7-12-22-16(17)11-14-24-26(5,6)20(2,3)4/h15-19,21H,7-14H2,1-6H3/t15?,16-,17+,18-,19+/m0/s1
InChIKeyZSUOMLUONMONAJ-HDDXRBDOSA-N
MW388.62 g/mol
LogP3.89
Rot. Bonds7

About 1-[(2R,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanol

1-[(2R,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanol (PubChem CID 23243307) has the molecular formula C20H40O5Si and a molecular weight of 388.62 g/mol. Its IUPAC name is 1-[(2R,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanol.

Molecular Properties

Compound Name1-[(2R,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanol
PubChem CID23243307
Molecular FormulaC20H40O5Si
Molecular Weight388.62 g/mol
Exact Mass388.26
IUPAC Name1-[(2R,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanol
SMILESCC(O)[C@H]1OCCC[C@@H]1O[C@@H]1CCCO[C@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O5Si/c1-15(21)19-18(10-8-13-23-19)25-17-9-7-12-22-16(17)11-14-24-26(5,6)20(2,3)4/h15-19,21H,7-14H2,1-6H3/t15?,16-,17+,18-,19+/m0/s1
InChIKeyZSUOMLUONMONAJ-HDDXRBDOSA-N
XLogP3.89
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.62
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]ethanol
CID 10706494
[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methanol
CID 10890219
[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methanol
CID 11322576
3-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]propan-1-ol
CID 44438951
(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hexadecoxybutan-2-ol
CID 11362793
(2R,3S)-2-{[(tert-butyldimethylsilyl)oxy]methyl}oxan-3-ol
CID 15785525
(2R,3S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyloxan-3-ol
CID 10492591
(4S,5R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,2-dimethyl-1,3-dioxan-5-ol
CID 25022950
2-[(4aR,6R,8aS)-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]ethanol
CID 56593726
(2R,4S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyloxan-4-ol
CID 134857731
(1S)-1-[(2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-dodecyloxan-2-yl]ethane-1,2-diol
CID 134940964
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol
CID 134968201

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanol?
The IUPAC name of 1-[(2R,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanol (CID 23243307) is 1-[(2R,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanol.
What is the SMILES notation for 1-[(2R,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanol?
The canonical SMILES for 1-[(2R,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanol is CC(O)[C@H]1OCCC[C@@H]1O[C@@H]1CCCO[C@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[(2R,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanol?
The InChIKey is ZSUOMLUONMONAJ-HDDXRBDOSA-N. The full InChI is InChI=1S/C20H40O5Si/c1-15(21)19-18(10-8-13-23-19)25-17-9-7-12-22-16(17)11-14-24-26(5,6)20(2,3)4/h15-19,21H,7-14H2,1-6H3/t15?,16-,17+,18-,19+/m0/s1.
What are the key properties of 1-[(2R,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanol?
1-[(2R,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanol has a molecular weight of 388.62 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanol is sourced from PubChem (CID 23243307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).