methyl (2S)-2-[(4R,6S)-6-[(2R)-2-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(2-trimethylsilylethoxymethoxy)acetate

C19H36O8Si — CID 25172711

IUPACmethyl (2S)-2-[(4R,6S)-6-[(2R)-2-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(2-trimethylsilylethoxymethoxy)acetate
SMILESCOC(=O)[C@@H](OCOCC[Si](C)(C)C)[C@H]1C[C@@H](C[C@H](C=O)OC)OC(C)(C)O1
InChIInChI=1S/C19H36O8Si/c1-19(2)26-14(10-15(12-20)22-3)11-16(27-19)17(18(21)23-4)25-13-24-8-9-28(5,6)7/h12,14-17H,8-11,13H2,1-7H3/t14-,15-,16-,17+/m1/s1
InChIKeyDZXSKESSLHZJDU-VQHPVUNQSA-N
MW420.58 g/mol
LogP2.37
Rot. Bonds12

About methyl (2S)-2-[(4R,6S)-6-[(2R)-2-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(2-trimethylsilylethoxymethoxy)acetate

methyl (2S)-2-[(4R,6S)-6-[(2R)-2-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(2-trimethylsilylethoxymethoxy)acetate (PubChem CID 25172711) has the molecular formula C19H36O8Si and a molecular weight of 420.58 g/mol. Its IUPAC name is methyl (2S)-2-[(4R,6S)-6-[(2R)-2-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(2-trimethylsilylethoxymethoxy)acetate.

Molecular Properties

Compound Namemethyl (2S)-2-[(4R,6S)-6-[(2R)-2-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(2-trimethylsilylethoxymethoxy)acetate
PubChem CID25172711
Molecular FormulaC19H36O8Si
Molecular Weight420.58 g/mol
Exact Mass420.22
IUPAC Namemethyl (2S)-2-[(4R,6S)-6-[(2R)-2-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(2-trimethylsilylethoxymethoxy)acetate
SMILESCOC(=O)[C@@H](OCOCC[Si](C)(C)C)[C@H]1C[C@@H](C[C@H](C=O)OC)OC(C)(C)O1
InChIInChI=1S/C19H36O8Si/c1-19(2)26-14(10-15(12-20)22-3)11-16(27-19)17(18(21)23-4)25-13-24-8-9-28(5,6)7/h12,14-17H,8-11,13H2,1-7H3/t14-,15-,16-,17+/m1/s1
InChIKeyDZXSKESSLHZJDU-VQHPVUNQSA-N
XLogP2.37
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 methyl (2S)-2-[(4R,6S)-6-[(2R)-2-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(2-trimethylsilylethoxymethoxy)acetate with MolForge

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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 glucuronide, TMS
CID 609395
methyl 2-[(2S,4S,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-formyloxan-2-yl]acetate
CID 11316799
methyl (2S,3R)-3-methoxy-2-(methoxymethoxy)-4-[(2R,4R,5S)-4-methoxy-5-(methoxymethoxy)-6-oxooxan-2-yl]butanoate
CID 46944289
Ethyl (2R,3S)-2-(tetrahydro-2H-pyran-2-yloxy)-3-(triisopropylsiloxy)decanoate
CID 132427757
(3R,4R)-3,4-bis(triethylsilyloxy)-1,10-dioxaspiro[4.5]decan-2-one
CID 138983144
alpha-Kojibiose TMS
CID 91747558
beta-Kojibiose TMS
CID 91747568
Butyl glucuronide, TMS
CID 91752365
Ethyl glucuronide, TMS
CID 91752368
Isopropyl glucuronide, TMS
CID 91752379
Propyl glucuronide, TMS
CID 91752384

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(4R,6S)-6-[(2R)-2-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(2-trimethylsilylethoxymethoxy)acetate?
The IUPAC name of methyl (2S)-2-[(4R,6S)-6-[(2R)-2-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(2-trimethylsilylethoxymethoxy)acetate (CID 25172711) is methyl (2S)-2-[(4R,6S)-6-[(2R)-2-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(2-trimethylsilylethoxymethoxy)acetate.
What is the SMILES notation for methyl (2S)-2-[(4R,6S)-6-[(2R)-2-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(2-trimethylsilylethoxymethoxy)acetate?
The canonical SMILES for methyl (2S)-2-[(4R,6S)-6-[(2R)-2-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(2-trimethylsilylethoxymethoxy)acetate is COC(=O)[C@@H](OCOCC[Si](C)(C)C)[C@H]1C[C@@H](C[C@H](C=O)OC)OC(C)(C)O1.
What is the InChIKey of methyl (2S)-2-[(4R,6S)-6-[(2R)-2-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(2-trimethylsilylethoxymethoxy)acetate?
The InChIKey is DZXSKESSLHZJDU-VQHPVUNQSA-N. The full InChI is InChI=1S/C19H36O8Si/c1-19(2)26-14(10-15(12-20)22-3)11-16(27-19)17(18(21)23-4)25-13-24-8-9-28(5,6)7/h12,14-17H,8-11,13H2,1-7H3/t14-,15-,16-,17+/m1/s1.
What are the key properties of methyl (2S)-2-[(4R,6S)-6-[(2R)-2-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(2-trimethylsilylethoxymethoxy)acetate?
methyl (2S)-2-[(4R,6S)-6-[(2R)-2-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(2-trimethylsilylethoxymethoxy)acetate has a molecular weight of 420.58 g/mol, XLogP of 2.37, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(4R,6S)-6-[(2R)-2-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-(2-trimethylsilylethoxymethoxy)acetate is sourced from PubChem (CID 25172711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).