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

C20H38O5Si — CID 11111837

IUPAC1-[(2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanone
SMILESCC(=O)[C@H]1OCCC[C@@H]1O[C@@H]1CCCO[C@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O5Si/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/h16-19H,7-14H2,1-6H3/t16-,17+,18-,19+/m0/s1
InChIKeyLGEKBOJQVMQYDU-ZSYWTGECSA-N
MW386.61 g/mol
LogP4.10
Rot. Bonds7

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

1-[(2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanone (PubChem CID 11111837) has the molecular formula C20H38O5Si and a molecular weight of 386.61 g/mol. Its IUPAC name is 1-[(2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanone
PubChem CID11111837
Molecular FormulaC20H38O5Si
Molecular Weight386.61 g/mol
Exact Mass386.25
IUPAC Name1-[(2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanone
SMILESCC(=O)[C@H]1OCCC[C@@H]1O[C@@H]1CCCO[C@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O5Si/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/h16-19H,7-14H2,1-6H3/t16-,17+,18-,19+/m0/s1
InChIKeyLGEKBOJQVMQYDU-ZSYWTGECSA-N
XLogP4.10
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.61
LogP ≤ 54.10
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

(2R,3R,6R)-6-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
CID 13070170
(2r,3r,4s,5s)-2-Acetyl-3-(t-butyldimethylsilyloxy)-4-methoxy-5-methyl-tetrahydropyran
CID 11141191
(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-one
CID 23253063
(4aR,6R,8aR)-2,2-ditert-butyl-6-methyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one
CID 46910879
(4R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 102409648
(4aR,6S,8aR)-2-tert-butyl-6-methyl-2-(2-methylpropan-2-yl)-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one
CID 134857277
(2R,3R,6S)-6-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
CID 13070171
2-bromo-1-[(2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanone
CID 10950703
(2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxane-2-carbaldehyde
CID 11111515
(4aR,6S,8aR)-2,2-ditert-butyl-6-methyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one
CID 46909604
(4aR,6S,8aS)-2,2-ditert-butyl-6-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-7-one
CID 101542020
(4S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 102178161

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanone?
The IUPAC name of 1-[(2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanone (CID 11111837) is 1-[(2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanone.
What is the SMILES notation for 1-[(2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanone?
The canonical SMILES for 1-[(2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanone 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-[(2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanone?
The InChIKey is LGEKBOJQVMQYDU-ZSYWTGECSA-N. The full InChI is InChI=1S/C20H38O5Si/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/h16-19H,7-14H2,1-6H3/t16-,17+,18-,19+/m0/s1.
What are the key properties of 1-[(2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanone?
1-[(2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanone has a molecular weight of 386.61 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanone is sourced from PubChem (CID 11111837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).