triethyl-[[(4R,6R,8R,10S,13R)-10-(5-iodo-2-methylidenepentyl)-13-methyl-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane

C36H69IO5Si2 — CID 24850935

IUPACtriethyl-[[(4R,6R,8R,10S,13R)-10-(5-iodo-2-methylidenepentyl)-13-methyl-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane
SMILESC=C(CCCI)C[C@@H]1CC[C@@](C)(O[Si](CC)(CC)CC)[C@]2(CC[C@@]3(CCC[C@H](CCO[Si](C(C)C)(C(C)C)C(C)C)O3)O2)O1
InChIInChI=1S/C36H69IO5Si2/c1-12-43(13-2,14-3)42-34(11)22-19-33(27-31(10)17-16-25-37)40-36(34)24-23-35(41-36)21-15-18-32(39-35)20-26-38-44(28(4)5,29(6)7)30(8)9/h28-30,32-33H,10,12-27H2,1-9,11H3/t32-,33+,34-,35-,36-/m1/s1
InChIKeyOILCKLLRZYDWMP-MWAROKLZSA-N
MW765.02 g/mol
LogP11.46
Rot. Bonds17

About triethyl-[[(4R,6R,8R,10S,13R)-10-(5-iodo-2-methylidenepentyl)-13-methyl-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane

triethyl-[[(4R,6R,8R,10S,13R)-10-(5-iodo-2-methylidenepentyl)-13-methyl-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane (PubChem CID 24850935) has the molecular formula C36H69IO5Si2 and a molecular weight of 765.02 g/mol. Its IUPAC name is triethyl-[[(4R,6R,8R,10S,13R)-10-(5-iodo-2-methylidenepentyl)-13-methyl-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane.

Molecular Properties

Compound Nametriethyl-[[(4R,6R,8R,10S,13R)-10-(5-iodo-2-methylidenepentyl)-13-methyl-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane
PubChem CID24850935
Molecular FormulaC36H69IO5Si2
Molecular Weight765.02 g/mol
Exact Mass764.37
IUPAC Nametriethyl-[[(4R,6R,8R,10S,13R)-10-(5-iodo-2-methylidenepentyl)-13-methyl-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane
SMILESC=C(CCCI)C[C@@H]1CC[C@@](C)(O[Si](CC)(CC)CC)[C@]2(CC[C@@]3(CCC[C@H](CCO[Si](C(C)C)(C(C)C)C(C)C)O3)O2)O1
InChIInChI=1S/C36H69IO5Si2/c1-12-43(13-2,14-3)42-34(11)22-19-33(27-31(10)17-16-25-37)40-36(34)24-23-35(41-36)21-15-18-32(39-35)20-26-38-44(28(4)5,29(6)7)30(8)9/h28-30,32-33H,10,12-27H2,1-9,11H3/t32-,33+,34-,35-,36-/m1/s1
InChIKeyOILCKLLRZYDWMP-MWAROKLZSA-N
XLogP11.46
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.02
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze triethyl-[[(4R,6R,8R,10S,13R)-10-(5-iodo-2-methylidenepentyl)-13-methyl-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane with MolForge

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Related Compounds

2-[(4R,6R,8R,10S,13R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-13-triethylsilyloxy-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]ethanol
CID 11663915
[(4R,6R,8R,10S,13R)-4-(1,3-dithian-2-ylmethyl)-13-methyl-10-(2-triethylsilyloxybut-3-enyl)-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy-triethylsilane
CID 11763813
triethyl-[5-[(2S,3R,6S)-6-(5-iodo-2-methylidenepentyl)-2-methoxy-3-methyl-3-trimethylsilyloxyoxan-2-yl]pent-1-en-3-yloxy]silane
CID 57327492
tert-butyl-[[(1S,2R,3R,5R,7S)-2-[tert-butyl(dimethyl)silyl]oxy-5-[[(4R,6R,8R,10S,13R)-13-[tert-butyl(dimethyl)silyl]oxy-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methyl]-3-methyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-dimethylsilane
CID 101092276
tert-butyl-[(E)-8-[(4S,6R,8R,10S,13R)-13-[tert-butyl(dimethyl)silyl]oxy-10-[2-[(4-methoxyphenyl)methoxy]ethyl]-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]-2-methylideneoct-3-enoxy]-dimethylsilane
CID 101227890
[(4S,6R,8S,10R,13S)-10-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-13-hydroxy-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methyl acetate
CID 23256929
2-cyclobutylethoxy-tri(propan-2-yl)silane
CID 173117664
(1R,2R,3R,5R,7S)-7-[(1S,6R)-6-[(2S,3R)-2,3-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-6-(1-hydroxybut-3-enyl)-3-(methoxymethoxymethyl)cyclohex-2-en-1-yl]-5-[[(4R,6S,8R,10S,13R)-10-(2-hydroxybut-3-enyl)-13-[2-(4-methoxyphenyl)ethoxy]-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methyl]-3-methyl-6,8-dioxabicyclo[3.2.1]octan-2-ol
CID 102302713
tert-butyl-[[(1R,2S,3S,5S,7R)-5-[[(4S,6R,8S,10R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-10-[2-[(4-methoxyphenyl)methoxy]ethyl]-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methyl]-3-methyl-7-(phenylmethoxymethyl)-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-dimethylsilane
CID 10855004
2-[(2S,4S,6R,8S,10S)-4-methyl-2-[(3R)-3-methyl-2-methylidene-4-triethylsilyloxybutyl]-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]ethanol
CID 11490914
(2S,6S,8R)-8-butyl-2-ethenyl-1,7-dioxaspiro[5.5]undecane
CID 71504682
(2R)-2,9-bis(iodomethyl)-1,10-dioxaspiro[4.5]decane
CID 135041897

Frequently Asked Questions

What is the IUPAC name of triethyl-[[(4R,6R,8R,10S,13R)-10-(5-iodo-2-methylidenepentyl)-13-methyl-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane?
The IUPAC name of triethyl-[[(4R,6R,8R,10S,13R)-10-(5-iodo-2-methylidenepentyl)-13-methyl-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane (CID 24850935) is triethyl-[[(4R,6R,8R,10S,13R)-10-(5-iodo-2-methylidenepentyl)-13-methyl-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane.
What is the SMILES notation for triethyl-[[(4R,6R,8R,10S,13R)-10-(5-iodo-2-methylidenepentyl)-13-methyl-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane?
The canonical SMILES for triethyl-[[(4R,6R,8R,10S,13R)-10-(5-iodo-2-methylidenepentyl)-13-methyl-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane is C=C(CCCI)C[C@@H]1CC[C@@](C)(O[Si](CC)(CC)CC)[C@]2(CC[C@@]3(CCC[C@H](CCO[Si](C(C)C)(C(C)C)C(C)C)O3)O2)O1.
What is the InChIKey of triethyl-[[(4R,6R,8R,10S,13R)-10-(5-iodo-2-methylidenepentyl)-13-methyl-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane?
The InChIKey is OILCKLLRZYDWMP-MWAROKLZSA-N. The full InChI is InChI=1S/C36H69IO5Si2/c1-12-43(13-2,14-3)42-34(11)22-19-33(27-31(10)17-16-25-37)40-36(34)24-23-35(41-36)21-15-18-32(39-35)20-26-38-44(28(4)5,29(6)7)30(8)9/h28-30,32-33H,10,12-27H2,1-9,11H3/t32-,33+,34-,35-,36-/m1/s1.
What are the key properties of triethyl-[[(4R,6R,8R,10S,13R)-10-(5-iodo-2-methylidenepentyl)-13-methyl-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane?
triethyl-[[(4R,6R,8R,10S,13R)-10-(5-iodo-2-methylidenepentyl)-13-methyl-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane has a molecular weight of 765.02 g/mol, XLogP of 11.46, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[[(4R,6R,8R,10S,13R)-10-(5-iodo-2-methylidenepentyl)-13-methyl-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane is sourced from PubChem (CID 24850935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).