(5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-one

C17H34O6Si — CID 46894692

IUPAC(5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-one
SMILESCOCCOCO[C@@H]1CCC(=O)O[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O6Si/c1-17(2,3)24(5,6)22-10-9-15-14(7-8-16(18)23-15)21-13-20-12-11-19-4/h14-15H,7-13H2,1-6H3/t14-,15-/m1/s1
InChIKeyXEPVSCUBSIAGHT-HUUCEWRRSA-N
MW362.54 g/mol
LogP3.11
Rot. Bonds10

About (5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-one

(5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-one (PubChem CID 46894692) has the molecular formula C17H34O6Si and a molecular weight of 362.54 g/mol. Its IUPAC name is (5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-one.

Molecular Properties

Compound Name(5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-one
PubChem CID46894692
Molecular FormulaC17H34O6Si
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC Name(5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-one
SMILESCOCCOCO[C@@H]1CCC(=O)O[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O6Si/c1-17(2,3)24(5,6)22-10-9-15-14(7-8-16(18)23-15)21-13-20-12-11-19-4/h14-15H,7-13H2,1-6H3/t14-,15-/m1/s1
InChIKeyXEPVSCUBSIAGHT-HUUCEWRRSA-N
XLogP3.11
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-one with MolForge

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Launch Full Analysis

Related Compounds

ethyl 3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 44515757
(4R,5S,6S)-6-[(3S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-bis(methoxymethoxy)hept-1-ynyl]-4-methoxy-5-(methoxymethoxy)oxan-2-one
CID 101889702
(4S,6S)-6-((2S,4S)-2,4-bis(Methoxymethoxy)pentyl)-4-((tert-butyldimethylsilyl)oxy)tetrahydro-2H-pyran-2-one
CID 145864775
methyl 3-[(2R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]propanoate
CID 54165815
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(1-methoxyethyl)oxan-2-one
CID 58361810
Methyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]propanoate
CID 67690442
(6S,8S,9S,10S)-9,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-1,7-dioxaspiro[5.5]undecan-2-one
CID 10527289
(5R)-5-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolan-2-one
CID 10568450
(5S)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolan-2-one
CID 10782678
methyl 2-[(4R,6S)-6-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 10873985
(4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-one
CID 11226143
(6R)-6-[(4R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-one
CID 11582113

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-one?
The IUPAC name of (5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-one (CID 46894692) is (5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-one.
What is the SMILES notation for (5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-one?
The canonical SMILES for (5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-one is COCCOCO[C@@H]1CCC(=O)O[C@@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-one?
The InChIKey is XEPVSCUBSIAGHT-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H34O6Si/c1-17(2,3)24(5,6)22-10-9-15-14(7-8-16(18)23-15)21-13-20-12-11-19-4/h14-15H,7-13H2,1-6H3/t14-,15-/m1/s1.
What are the key properties of (5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-one?
(5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-one has a molecular weight of 362.54 g/mol, XLogP of 3.11, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-one is sourced from PubChem (CID 46894692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).