ethyl (E,4S,5S)-4,5-bis(methoxymethoxy)-5-[(2S,3R,4S,5R)-4-(methoxymethoxy)-5-(methoxymethyl)-3-triethylsilyloxyoxolan-2-yl]pent-2-enoate

C25H48O11Si — CID 10816533

IUPACethyl (E,4S,5S)-4,5-bis(methoxymethoxy)-5-[(2S,3R,4S,5R)-4-(methoxymethoxy)-5-(methoxymethyl)-3-triethylsilyloxyoxolan-2-yl]pent-2-enoate
SMILESCCOC(=O)/C=C/[C@H](OCOC)[C@H](OCOC)[C@@H]1O[C@H](COC)[C@H](OCOC)[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C25H48O11Si/c1-9-31-21(26)14-13-19(32-16-28-6)22(33-17-29-7)24-25(36-37(10-2,11-3)12-4)23(34-18-30-8)20(35-24)15-27-5/h13-14,19-20,22-25H,9-12,15-18H2,1-8H3/b14-13+/t19-,20+,22-,23-,24-,25-/m0/s1
InChIKeyASKUXEZVAKGKBK-JNWVKHBASA-N
MW552.73 g/mol
LogP2.88
Rot. Bonds21

About ethyl (E,4S,5S)-4,5-bis(methoxymethoxy)-5-[(2S,3R,4S,5R)-4-(methoxymethoxy)-5-(methoxymethyl)-3-triethylsilyloxyoxolan-2-yl]pent-2-enoate

ethyl (E,4S,5S)-4,5-bis(methoxymethoxy)-5-[(2S,3R,4S,5R)-4-(methoxymethoxy)-5-(methoxymethyl)-3-triethylsilyloxyoxolan-2-yl]pent-2-enoate (PubChem CID 10816533) has the molecular formula C25H48O11Si and a molecular weight of 552.73 g/mol. Its IUPAC name is ethyl (E,4S,5S)-4,5-bis(methoxymethoxy)-5-[(2S,3R,4S,5R)-4-(methoxymethoxy)-5-(methoxymethyl)-3-triethylsilyloxyoxolan-2-yl]pent-2-enoate.

Molecular Properties

Compound Nameethyl (E,4S,5S)-4,5-bis(methoxymethoxy)-5-[(2S,3R,4S,5R)-4-(methoxymethoxy)-5-(methoxymethyl)-3-triethylsilyloxyoxolan-2-yl]pent-2-enoate
PubChem CID10816533
Molecular FormulaC25H48O11Si
Molecular Weight552.73 g/mol
Exact Mass552.30
IUPAC Nameethyl (E,4S,5S)-4,5-bis(methoxymethoxy)-5-[(2S,3R,4S,5R)-4-(methoxymethoxy)-5-(methoxymethyl)-3-triethylsilyloxyoxolan-2-yl]pent-2-enoate
SMILESCCOC(=O)/C=C/[C@H](OCOC)[C@H](OCOC)[C@@H]1O[C@H](COC)[C@H](OCOC)[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C25H48O11Si/c1-9-31-21(26)14-13-19(32-16-28-6)22(33-17-29-7)24-25(36-37(10-2,11-3)12-4)23(34-18-30-8)20(35-24)15-27-5/h13-14,19-20,22-25H,9-12,15-18H2,1-8H3/b14-13+/t19-,20+,22-,23-,24-,25-/m0/s1
InChIKeyASKUXEZVAKGKBK-JNWVKHBASA-N
XLogP2.88
TPSA109.37 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.73
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (E,4S,5S)-4,5-bis(methoxymethoxy)-5-[(2S,3R,4S,5R)-4-(methoxymethoxy)-5-(methoxymethyl)-3-triethylsilyloxyoxolan-2-yl]pent-2-enoate with MolForge

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Related Compounds

ethyl (2E,4R,6S,7S,8E,12R)-7-acetyloxy-6-(methoxymethoxy)-2,4-dimethyl-12-[2-[(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxolan-2-yl]trideca-2,8-dienoate
CID 11158287
(13Z)-7-[tert-butyl(dimethyl)silyl]oxy-10-methyl-1,4,11-trioxaspiro[4.9]tetradec-13-en-12-one
CID 11760087
ethyl (Z,4R,5R,6R,8R)-8-[(4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-4-ethyl-5-(methoxymethoxy)-6-methylnon-2-enoate
CID 25052810
ethyl (E)-3-[(4R,5S)-5-[(6R)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 44516071
(2E,5S,7S,8E,11S,13S,15R)-Ethyl 13-(tert-butyldimethylsilyloxy)-11,15-di(methoxymethoxy)-3-methyl-5,7-[(S)-methylmethylenedioxy]hexadeca-2,8-dienate
CID 56946978
(2E,5S,7S,8Z,11S,13S,15R)-Ethyl 13-(tert-butyldimethylsilyloxy)-11,15-di(methoxymethoxy)-3-methyl-5,7-[(S)-methylmethylenedioxy]hexadeca-2,8-dienate
CID 56946986
methyl (2E)-2-[(2S,3S,6S)-3-acetyloxy-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-4-ylidene]acetate
CID 102401628
ethyl (E)-3-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)-5-triethoxysilylpent-2-enoate
CID 134832550
ethyl (2E,4R,6S,7S,8Z,12R)-7-acetyloxy-6-(methoxymethoxy)-2,4-dimethyl-12-[2-[(3S)-3-methyl-4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxolan-2-yl]trideca-2,8-dienoate
CID 134982282
(2R)-2-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-furan-5-one
CID 135012466
(2S)-2-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-furan-5-one
CID 135012467
2-[(2R,5R)-5-[(1S)-1-(methoxymethoxy)pentadecyl]oxolan-2-yl]-2H-furan-5-one
CID 135016298

Frequently Asked Questions

What is the IUPAC name of ethyl (E,4S,5S)-4,5-bis(methoxymethoxy)-5-[(2S,3R,4S,5R)-4-(methoxymethoxy)-5-(methoxymethyl)-3-triethylsilyloxyoxolan-2-yl]pent-2-enoate?
The IUPAC name of ethyl (E,4S,5S)-4,5-bis(methoxymethoxy)-5-[(2S,3R,4S,5R)-4-(methoxymethoxy)-5-(methoxymethyl)-3-triethylsilyloxyoxolan-2-yl]pent-2-enoate (CID 10816533) is ethyl (E,4S,5S)-4,5-bis(methoxymethoxy)-5-[(2S,3R,4S,5R)-4-(methoxymethoxy)-5-(methoxymethyl)-3-triethylsilyloxyoxolan-2-yl]pent-2-enoate.
What is the SMILES notation for ethyl (E,4S,5S)-4,5-bis(methoxymethoxy)-5-[(2S,3R,4S,5R)-4-(methoxymethoxy)-5-(methoxymethyl)-3-triethylsilyloxyoxolan-2-yl]pent-2-enoate?
The canonical SMILES for ethyl (E,4S,5S)-4,5-bis(methoxymethoxy)-5-[(2S,3R,4S,5R)-4-(methoxymethoxy)-5-(methoxymethyl)-3-triethylsilyloxyoxolan-2-yl]pent-2-enoate is CCOC(=O)/C=C/[C@H](OCOC)[C@H](OCOC)[C@@H]1O[C@H](COC)[C@H](OCOC)[C@@H]1O[Si](CC)(CC)CC.
What is the InChIKey of ethyl (E,4S,5S)-4,5-bis(methoxymethoxy)-5-[(2S,3R,4S,5R)-4-(methoxymethoxy)-5-(methoxymethyl)-3-triethylsilyloxyoxolan-2-yl]pent-2-enoate?
The InChIKey is ASKUXEZVAKGKBK-JNWVKHBASA-N. The full InChI is InChI=1S/C25H48O11Si/c1-9-31-21(26)14-13-19(32-16-28-6)22(33-17-29-7)24-25(36-37(10-2,11-3)12-4)23(34-18-30-8)20(35-24)15-27-5/h13-14,19-20,22-25H,9-12,15-18H2,1-8H3/b14-13+/t19-,20+,22-,23-,24-,25-/m0/s1.
What are the key properties of ethyl (E,4S,5S)-4,5-bis(methoxymethoxy)-5-[(2S,3R,4S,5R)-4-(methoxymethoxy)-5-(methoxymethyl)-3-triethylsilyloxyoxolan-2-yl]pent-2-enoate?
ethyl (E,4S,5S)-4,5-bis(methoxymethoxy)-5-[(2S,3R,4S,5R)-4-(methoxymethoxy)-5-(methoxymethyl)-3-triethylsilyloxyoxolan-2-yl]pent-2-enoate has a molecular weight of 552.73 g/mol, XLogP of 2.88, 21 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4S,5S)-4,5-bis(methoxymethoxy)-5-[(2S,3R,4S,5R)-4-(methoxymethoxy)-5-(methoxymethyl)-3-triethylsilyloxyoxolan-2-yl]pent-2-enoate is sourced from PubChem (CID 10816533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).