methyl 2-[(4R,6S)-6-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

C22H42O7Si — CID 10873985

IUPACmethyl 2-[(4R,6S)-6-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
SMILESCOC(=O)C[C@H]1C[C@@H](C[C@@H](CCCOC(C)=O)O[Si](C)(C)C(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C22H42O7Si/c1-16(23)26-12-10-11-17(29-30(8,9)21(2,3)4)13-18-14-19(15-20(24)25-7)28-22(5,6)27-18/h17-19H,10-15H2,1-9H3/t17-,18-,19-/m1/s1
InChIKeyJOXMURAKRGIJDS-GUDVDZBRSA-N
MW446.66 g/mol
LogP4.58
Rot. Bonds10

About methyl 2-[(4R,6S)-6-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

methyl 2-[(4R,6S)-6-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate (PubChem CID 10873985) has the molecular formula C22H42O7Si and a molecular weight of 446.66 g/mol. Its IUPAC name is methyl 2-[(4R,6S)-6-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(4R,6S)-6-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
PubChem CID10873985
Molecular FormulaC22H42O7Si
Molecular Weight446.66 g/mol
Exact Mass446.27
IUPAC Namemethyl 2-[(4R,6S)-6-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
SMILESCOC(=O)C[C@H]1C[C@@H](C[C@@H](CCCOC(C)=O)O[Si](C)(C)C(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C22H42O7Si/c1-16(23)26-12-10-11-17(29-30(8,9)21(2,3)4)13-18-14-19(15-20(24)25-7)28-22(5,6)27-18/h17-19H,10-15H2,1-9H3/t17-,18-,19-/m1/s1
InChIKeyJOXMURAKRGIJDS-GUDVDZBRSA-N
XLogP4.58
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.66
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 2-[(4R,6S)-6-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

propan-2-yl (2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(4S,6R)-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-dioxan-4-yl]propanoate
CID 134990997
methyl 2-[(4R,6R)-6-[[(4S,6R)-6-[[(4R,6R)-6-[[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 11308631
methyl 2-[(4S,6R)-2,2-dimethyl-6-tridecyl-1,3-dioxan-4-yl]acetate
CID 11474186
methyl (3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-5-oxooxolan-2-yl]hexanoate
CID 14262402
methyl 2-[(2S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-[(2S)-1-oxopropan-2-yl]oxan-2-yl]acetate
CID 24879906
methyl 2-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate
CID 24949357
methyl (2R,3S,4S,5S)-7-acetyloxy-5-(methoxymethoxy)-2,4-dimethyl-3-tri(propan-2-yl)silyloxyheptanoate
CID 42600665
6-[2-(tert-Butyldimethylsilanyloxy)ethyl]-5-(2-methoxyethoxymethoxy)tetrahydropyran-2-one
CID 46894692
methyl (3R)-4-[(2S,4S,6S)-4-acetyloxy-6-methoxy-5,5-dimethyl-6-(2-oxoethyl)oxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 56590398
(1S,5R,7S)-7-((R)-4-Oxo-2-((triethylsilyl)oxy)pentyl)-2,6-dioxabicyclo[3.3.1]nonan-3-one
CID 71489812
1-[(2R,4S,5R,6R)-2-methoxy-5-methyl-6-propan-2-yl-4-triethylsilyloxyoxan-2-yl]propan-2-one
CID 102522910
methyl 2-[(4R,6R)-2,2-dimethyl-6-tridecyl-1,3-dioxan-4-yl]acetate
CID 134841879

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4R,6S)-6-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The IUPAC name of 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) is methyl 2-[(4R,6S)-6-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate.
What is the SMILES notation for methyl 2-[(4R,6S)-6-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The canonical SMILES for methyl 2-[(4R,6S)-6-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate is COC(=O)C[C@H]1C[C@@H](C[C@@H](CCCOC(C)=O)O[Si](C)(C)C(C)(C)C)OC(C)(C)O1.
What is the InChIKey of methyl 2-[(4R,6S)-6-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The InChIKey is JOXMURAKRGIJDS-GUDVDZBRSA-N. The full InChI is InChI=1S/C22H42O7Si/c1-16(23)26-12-10-11-17(29-30(8,9)21(2,3)4)13-18-14-19(15-20(24)25-7)28-22(5,6)27-18/h17-19H,10-15H2,1-9H3/t17-,18-,19-/m1/s1.
What are the key properties of methyl 2-[(4R,6S)-6-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
methyl 2-[(4R,6S)-6-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate has a molecular weight of 446.66 g/mol, XLogP of 4.58, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4R,6S)-6-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate is sourced from PubChem (CID 10873985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).