1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]propan-1-one

C18H36O4Si — CID 10315510

IUPAC1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]propan-1-one
SMILESCCC(=O)[C@@H]1O[C@@H]([C@@H](C)COCOCC[Si](C)(C)C)CC[C@@H]1C
InChIInChI=1S/C18H36O4Si/c1-7-16(19)18-14(2)8-9-17(22-18)15(3)12-21-13-20-10-11-23(4,5)6/h14-15,17-18H,7-13H2,1-6H3/t14-,15-,17+,18+/m0/s1
InChIKeyKMIAFVUMZXYWTL-CWLKWCNXSA-N
MW344.57 g/mol
LogP4.11
Rot. Bonds10

About 1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]propan-1-one

1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]propan-1-one (PubChem CID 10315510) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is 1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]propan-1-one
PubChem CID10315510
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]propan-1-one
SMILESCCC(=O)[C@@H]1O[C@@H]([C@@H](C)COCOCC[Si](C)(C)C)CC[C@@H]1C
InChIInChI=1S/C18H36O4Si/c1-7-16(19)18-14(2)8-9-17(22-18)15(3)12-21-13-20-10-11-23(4,5)6/h14-15,17-18H,7-13H2,1-6H3/t14-,15-,17+,18+/m0/s1
InChIKeyKMIAFVUMZXYWTL-CWLKWCNXSA-N
XLogP4.11
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]ethanone
CID 10095810
1-(1,1,2-Triethoxy-3-ethylsilinan-2-yl)decan-1-one
CID 174971110
(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxane-2-carbaldehyde
CID 10471048
(3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylheptanal
CID 10475284
(2S,5R,6R,7R,8R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6,8-bis(methoxymethoxy)-5,7-dimethyldecanal
CID 10671839
1-[(2S,3R,4R,5S,6S,8R,9R,10R)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,9-trimethyl-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-2-yl]ethanone
CID 11017019
1-Cyclohexyl-2-(2-trimethylsilylethoxymethoxy)ethanone
CID 11471281
(4S,6R,9R)-4-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-1,7-dioxaspiro[5.5]undecan-3-one
CID 11727200
1-[(4R,5S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]ethanone
CID 11782491

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]propan-1-one?
The IUPAC name of 1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]propan-1-one (CID 10315510) is 1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]propan-1-one.
What is the SMILES notation for 1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]propan-1-one?
The canonical SMILES for 1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]propan-1-one is CCC(=O)[C@@H]1O[C@@H]([C@@H](C)COCOCC[Si](C)(C)C)CC[C@@H]1C.
What is the InChIKey of 1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]propan-1-one?
The InChIKey is KMIAFVUMZXYWTL-CWLKWCNXSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-7-16(19)18-14(2)8-9-17(22-18)15(3)12-21-13-20-10-11-23(4,5)6/h14-15,17-18H,7-13H2,1-6H3/t14-,15-,17+,18+/m0/s1.
What are the key properties of 1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]propan-1-one?
1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]propan-1-one has a molecular weight of 344.57 g/mol, XLogP of 4.11, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]propan-1-one is sourced from PubChem (CID 10315510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).