methyl 2-[(2S,3S,4S,6R)-6-(2-hydroxyethyl)-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate

C20H40O5Si — CID 11222974

IUPACmethyl 2-[(2S,3S,4S,6R)-6-(2-hydroxyethyl)-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate
SMILESCOC(=O)C[C@@H]1O[C@H](CCO)C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C
InChIInChI=1S/C20H40O5Si/c1-13(2)26(14(3)4,15(5)6)25-19-11-17(9-10-21)24-18(16(19)7)12-20(22)23-8/h13-19,21H,9-12H2,1-8H3/t16-,17+,18-,19-/m0/s1
InChIKeyGLVLODVOWJKDKY-RDGPPVDQSA-N
MW388.62 g/mol
LogP4.29
Rot. Bonds9

About methyl 2-[(2S,3S,4S,6R)-6-(2-hydroxyethyl)-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate

methyl 2-[(2S,3S,4S,6R)-6-(2-hydroxyethyl)-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate (PubChem CID 11222974) has the molecular formula C20H40O5Si and a molecular weight of 388.62 g/mol. Its IUPAC name is methyl 2-[(2S,3S,4S,6R)-6-(2-hydroxyethyl)-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S,3S,4S,6R)-6-(2-hydroxyethyl)-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate
PubChem CID11222974
Molecular FormulaC20H40O5Si
Molecular Weight388.62 g/mol
Exact Mass388.26
IUPAC Namemethyl 2-[(2S,3S,4S,6R)-6-(2-hydroxyethyl)-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate
SMILESCOC(=O)C[C@@H]1O[C@H](CCO)C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C
InChIInChI=1S/C20H40O5Si/c1-13(2)26(14(3)4,15(5)6)25-19-11-17(9-10-21)24-18(16(19)7)12-20(22)23-8/h13-19,21H,9-12H2,1-8H3/t16-,17+,18-,19-/m0/s1
InChIKeyGLVLODVOWJKDKY-RDGPPVDQSA-N
XLogP4.29
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.62
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[(2S,3S,4S,6R)-6-(2-hydroxyethyl)-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate with MolForge

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Related Compounds

(-)-6-Deoxyerythronolide B
CID 121904
13-Deethyl-6,12-dideoxy-13-methylerythronolide A
CID 193898
(3S,4S,6R)-3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one
CID 11013671
Penicitide A
CID 139587362
(3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-14-propyl-oxacyclotetradecane-2,10-dione
CID 10408709
8-Deoxylankolide
CID 9980136
(4R,5S,6S)-4-hydroxy-6-[(4S)-4-hydroxyhexyl]-5-methyloxan-2-one
CID 11424727
[(2S,4S,5R,6S,7S,10S,12S,13R,14S,15S)-12-acetyloxy-2,10-bis[(2R)-2-acetyloxypropyl]-6,14-dihydroxy-5,7,13,15-tetramethyl-8,16-dioxo-1,9-dioxacyclohexadec-4-yl] acetate
CID 101924651
4-Hydroxy-6-(10-hydroxy-5,7-dimethylundecyl)oxan-2-one
CID 163080374
(3S,4R,6S)-3-hexyl-4-hydroxy-6-undecyloxan-2-one
CID 14607533
(3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S},13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione
CID 154702645
(3R,4S,5R,6S,7S,9R,10S,11S,12R,13R,14R)-14-ethyl-4,6,10,12-tetrahydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
CID 9543570

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,3S,4S,6R)-6-(2-hydroxyethyl)-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2S,3S,4S,6R)-6-(2-hydroxyethyl)-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate (CID 11222974) is methyl 2-[(2S,3S,4S,6R)-6-(2-hydroxyethyl)-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S,3S,4S,6R)-6-(2-hydroxyethyl)-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S,3S,4S,6R)-6-(2-hydroxyethyl)-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate is COC(=O)C[C@@H]1O[C@H](CCO)C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C.
What is the InChIKey of methyl 2-[(2S,3S,4S,6R)-6-(2-hydroxyethyl)-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate?
The InChIKey is GLVLODVOWJKDKY-RDGPPVDQSA-N. The full InChI is InChI=1S/C20H40O5Si/c1-13(2)26(14(3)4,15(5)6)25-19-11-17(9-10-21)24-18(16(19)7)12-20(22)23-8/h13-19,21H,9-12H2,1-8H3/t16-,17+,18-,19-/m0/s1.
What are the key properties of methyl 2-[(2S,3S,4S,6R)-6-(2-hydroxyethyl)-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate?
methyl 2-[(2S,3S,4S,6R)-6-(2-hydroxyethyl)-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate has a molecular weight of 388.62 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,3S,4S,6R)-6-(2-hydroxyethyl)-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate is sourced from PubChem (CID 11222974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).