2-[(2R,3S,4S,6R)-6-[(4R,5S)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)-3-methyloxan-2-yl]ethanol

C26H50O7Si — CID 11752426

IUPAC2-[(2R,3S,4S,6R)-6-[(4R,5S)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)-3-methyloxan-2-yl]ethanol
SMILESCOCO[C@H]1C[C@H]([C@H]2OC(C)(C)O[C@H]2/C=C/CCCO[Si](C)(C)C(C)(C)C)O[C@H](CCO)[C@@H]1C
InChIInChI=1S/C26H50O7Si/c1-19-20(14-15-27)31-23(17-22(19)29-18-28-7)24-21(32-26(5,6)33-24)13-11-10-12-16-30-34(8,9)25(2,3)4/h11,13,19-24,27H,10,12,14-18H2,1-9H3/b13-11+/t19-,20+,21-,22-,23+,24-/m0/s1
InChIKeyIOZUDXDZJVDVOF-VYBGHMRASA-N
MW502.77 g/mol
LogP5.03
Rot. Bonds12

About 2-[(2R,3S,4S,6R)-6-[(4R,5S)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)-3-methyloxan-2-yl]ethanol

2-[(2R,3S,4S,6R)-6-[(4R,5S)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)-3-methyloxan-2-yl]ethanol (PubChem CID 11752426) has the molecular formula C26H50O7Si and a molecular weight of 502.77 g/mol. Its IUPAC name is 2-[(2R,3S,4S,6R)-6-[(4R,5S)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)-3-methyloxan-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R,3S,4S,6R)-6-[(4R,5S)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)-3-methyloxan-2-yl]ethanol
PubChem CID11752426
Molecular FormulaC26H50O7Si
Molecular Weight502.77 g/mol
Exact Mass502.33
IUPAC Name2-[(2R,3S,4S,6R)-6-[(4R,5S)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)-3-methyloxan-2-yl]ethanol
SMILESCOCO[C@H]1C[C@H]([C@H]2OC(C)(C)O[C@H]2/C=C/CCCO[Si](C)(C)C(C)(C)C)O[C@H](CCO)[C@@H]1C
InChIInChI=1S/C26H50O7Si/c1-19-20(14-15-27)31-23(17-22(19)29-18-28-7)24-21(32-26(5,6)33-24)13-11-10-12-16-30-34(8,9)25(2,3)4/h11,13,19-24,27H,10,12,14-18H2,1-9H3/b13-11+/t19-,20+,21-,22-,23+,24-/m0/s1
InChIKeyIOZUDXDZJVDVOF-VYBGHMRASA-N
XLogP5.03
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.77
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[(2R,3S,4S,6R)-6-[(4R,5S)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)-3-methyloxan-2-yl]ethanol with MolForge

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Related Compounds

(3aS,4R,7S,7aR)-3a-[(Z)-8,8-dimethoxyoct-1-enyl]-2,2-dimethyl-7-tri(propan-2-yl)silyloxy-7,7a-dihydro-4H-1,3-benzodioxol-4-ol
CID 140808404
(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-ol
CID 11268781
(1S,2R,3R)-1-[(2S,5S)-5-[(E)-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl]oxolan-2-yl]-3-methyl-1-triethylsilyloxyhex-5-yn-2-ol
CID 15953632
(3R,4R,5S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-[(2S,3S,6R)-6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methyl-1-trimethylsilylnon-1-yn-5-ol
CID 16220681
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
(1r,3r,7r,8z,10s,11z,13s,14r)-11-({[t-Butyl-(dimethyl)silyl]oxy}methyl)-5,5,7,14-tetramethyl-4,6-dioxatricyclo[11,4,0,0 3,7]heptadeca-8,11,15-trien-10-ol
CID 129751751
(1r,3s,7s,10s,11z,13s,14r)-11-(t-Butyl-dimethylsilyloxymethyl)-5,5,7,14-tetramethyl-4,6-dioxatricyclo[11,4,0,0 3,7]heptadeca-11,15-dien-10-ol
CID 129757540
(1r,3s,7s,8z,10s,11z,13s,14r)-11-(t-Butyldimethylsilyloxymethyl)-5,5,7,14-tetramethyl-4,6-dioxatricyclo[11,4,0,0 3,7]heptadeca-8,11,15-trien-10-ol
CID 129757626
(3S,4S,5E,7S,8R,9S,11S,13S)-3,5,7,9,11,13-hexamethyl-8-[3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxypentadeca-1,5-dien-4-ol
CID 134836551
(E,2S,3S)-6-[(2R,3S,6S,8R,10S)-2-[(2S)-butan-2-yl]-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2,4-dimethyl-3-(2-trimethylsilylethoxymethoxy)hex-4-en-1-ol
CID 134931436
(2S,3S)-2-[(2S,5S,6R,7S,8Z,10Z,12E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-6-methyltetradeca-8,10,12-trien-2-yl]-3-methyl-3,6-dihydro-2H-pyran-6-ol
CID 134939960
(2R,3R,4S,5S,6S,7R,10E,12R,13R,14E,16R)-2-[(2S,3S,6S)-6-methoxy-3-methyloxan-2-yl]-4,6,12,14,16-pentamethyl-3,5,13-tris(triethylsilyloxy)nonadeca-10,14-dien-7-ol
CID 134953249

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S,4S,6R)-6-[(4R,5S)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)-3-methyloxan-2-yl]ethanol?
The IUPAC name of 2-[(2R,3S,4S,6R)-6-[(4R,5S)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)-3-methyloxan-2-yl]ethanol (CID 11752426) is 2-[(2R,3S,4S,6R)-6-[(4R,5S)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)-3-methyloxan-2-yl]ethanol.
What is the SMILES notation for 2-[(2R,3S,4S,6R)-6-[(4R,5S)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)-3-methyloxan-2-yl]ethanol?
The canonical SMILES for 2-[(2R,3S,4S,6R)-6-[(4R,5S)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)-3-methyloxan-2-yl]ethanol is COCO[C@H]1C[C@H]([C@H]2OC(C)(C)O[C@H]2/C=C/CCCO[Si](C)(C)C(C)(C)C)O[C@H](CCO)[C@@H]1C.
What is the InChIKey of 2-[(2R,3S,4S,6R)-6-[(4R,5S)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)-3-methyloxan-2-yl]ethanol?
The InChIKey is IOZUDXDZJVDVOF-VYBGHMRASA-N. The full InChI is InChI=1S/C26H50O7Si/c1-19-20(14-15-27)31-23(17-22(19)29-18-28-7)24-21(32-26(5,6)33-24)13-11-10-12-16-30-34(8,9)25(2,3)4/h11,13,19-24,27H,10,12,14-18H2,1-9H3/b13-11+/t19-,20+,21-,22-,23+,24-/m0/s1.
What are the key properties of 2-[(2R,3S,4S,6R)-6-[(4R,5S)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)-3-methyloxan-2-yl]ethanol?
2-[(2R,3S,4S,6R)-6-[(4R,5S)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)-3-methyloxan-2-yl]ethanol has a molecular weight of 502.77 g/mol, XLogP of 5.03, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S,4S,6R)-6-[(4R,5S)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)-3-methyloxan-2-yl]ethanol is sourced from PubChem (CID 11752426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).