ethyl (E)-3-[(4S,5S)-5-[(4aR,6S,7R,7aS)-2,2-dimethyl-7-triethylsilyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate

C24H42O8Si — CID 11081429

IUPACethyl (E)-3-[(4S,5S)-5-[(4aR,6S,7R,7aS)-2,2-dimethyl-7-triethylsilyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/[C@@H]1OC(C)(C)O[C@@H]1[C@@H]1O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C24H42O8Si/c1-9-26-18(25)14-13-16-19(31-24(7,8)29-16)21-22(32-33(10-2,11-3)12-4)20-17(28-21)15-27-23(5,6)30-20/h13-14,16-17,19-22H,9-12,15H2,1-8H3/b14-13+/t16-,17+,19-,20-,21-,22-/m0/s1
InChIKeySYDNCPUYUDQAJJ-LYYHNYBMSA-N
MW486.68 g/mol
LogP3.94
Rot. Bonds9

About ethyl (E)-3-[(4S,5S)-5-[(4aR,6S,7R,7aS)-2,2-dimethyl-7-triethylsilyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate

ethyl (E)-3-[(4S,5S)-5-[(4aR,6S,7R,7aS)-2,2-dimethyl-7-triethylsilyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate (PubChem CID 11081429) has the molecular formula C24H42O8Si and a molecular weight of 486.68 g/mol. Its IUPAC name is ethyl (E)-3-[(4S,5S)-5-[(4aR,6S,7R,7aS)-2,2-dimethyl-7-triethylsilyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[(4S,5S)-5-[(4aR,6S,7R,7aS)-2,2-dimethyl-7-triethylsilyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
PubChem CID11081429
Molecular FormulaC24H42O8Si
Molecular Weight486.68 g/mol
Exact Mass486.26
IUPAC Nameethyl (E)-3-[(4S,5S)-5-[(4aR,6S,7R,7aS)-2,2-dimethyl-7-triethylsilyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/[C@@H]1OC(C)(C)O[C@@H]1[C@@H]1O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C24H42O8Si/c1-9-26-18(25)14-13-16-19(31-24(7,8)29-16)21-22(32-33(10-2,11-3)12-4)20-17(28-21)15-27-23(5,6)30-20/h13-14,16-17,19-22H,9-12,15H2,1-8H3/b14-13+/t16-,17+,19-,20-,21-,22-/m0/s1
InChIKeySYDNCPUYUDQAJJ-LYYHNYBMSA-N
XLogP3.94
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.68
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (E)-3-[(4S,5S)-5-[(4aR,6S,7R,7aS)-2,2-dimethyl-7-triethylsilyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate with MolForge

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Related Compounds

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
(2R)-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]-2,3-dihydropyran-6-one
CID 134973226
methyl (E)-3-[(3aR,4S,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]prop-2-enoate
CID 135067287
ethyl (E)-3-[(4R,5S)-5-[(2R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)tridecyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 138967741
ethyl (E)-3-[(2R,3S)-3-[(2S,3S)-3-[(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-1,4-dioxaspiro[4.5]decan-2-yl]oxiran-2-yl]prop-2-enoate
CID 164674989
ethyl (E)-3-[(2S,3S)-3-[(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-1,4-dioxaspiro[4.5]decan-2-yl]prop-2-enoate
CID 178184630
[6'-[(E)-2-acetyloxyheptadec-14-enyl]-5-oxospiro[3a,7a-dihydro-3H-furo[3,2-b]pyran-2,2'-oxane]-4'-yl] acetate
CID 57626499
[6'-(2-acetyloxypentadecyl)-5-oxospiro[3a,7a-dihydro-3H-furo[3,2-b]pyran-2,2'-oxane]-4'-yl] acetate
CID 57626501
[6'-(2-acetyloxyheptadecyl)-5-oxospiro[3a,7a-dihydro-3H-furo[3,2-b]pyran-2,2'-oxane]-4'-yl] acetate
CID 57626517
(1R,3Z,7S,9E,17R)-11-[tert-butyl(dimethyl)silyl]oxy-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-13-methylidene-6,21-dioxabicyclo[15.3.1]henicosa-3,9,19-trien-5-one
CID 59027069
[6'-(2-acetyloxyheptadec-14-enyl)-5-oxospiro[3a,7a-dihydro-3H-furo[3,2-b]pyran-2,2'-oxane]-4'-yl] acetate
CID 76629723

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[(4S,5S)-5-[(4aR,6S,7R,7aS)-2,2-dimethyl-7-triethylsilyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[(4S,5S)-5-[(4aR,6S,7R,7aS)-2,2-dimethyl-7-triethylsilyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate (CID 11081429) is ethyl (E)-3-[(4S,5S)-5-[(4aR,6S,7R,7aS)-2,2-dimethyl-7-triethylsilyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[(4S,5S)-5-[(4aR,6S,7R,7aS)-2,2-dimethyl-7-triethylsilyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[(4S,5S)-5-[(4aR,6S,7R,7aS)-2,2-dimethyl-7-triethylsilyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate is CCOC(=O)/C=C/[C@@H]1OC(C)(C)O[C@@H]1[C@@H]1O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O[Si](CC)(CC)CC.
What is the InChIKey of ethyl (E)-3-[(4S,5S)-5-[(4aR,6S,7R,7aS)-2,2-dimethyl-7-triethylsilyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate?
The InChIKey is SYDNCPUYUDQAJJ-LYYHNYBMSA-N. The full InChI is InChI=1S/C24H42O8Si/c1-9-26-18(25)14-13-16-19(31-24(7,8)29-16)21-22(32-33(10-2,11-3)12-4)20-17(28-21)15-27-23(5,6)30-20/h13-14,16-17,19-22H,9-12,15H2,1-8H3/b14-13+/t16-,17+,19-,20-,21-,22-/m0/s1.
What are the key properties of ethyl (E)-3-[(4S,5S)-5-[(4aR,6S,7R,7aS)-2,2-dimethyl-7-triethylsilyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate?
ethyl (E)-3-[(4S,5S)-5-[(4aR,6S,7R,7aS)-2,2-dimethyl-7-triethylsilyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate has a molecular weight of 486.68 g/mol, XLogP of 3.94, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[(4S,5S)-5-[(4aR,6S,7R,7aS)-2,2-dimethyl-7-triethylsilyloxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate is sourced from PubChem (CID 11081429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).