[(2R,6S)-6-[(2S,5S,6S)-5,6-bis(4-methoxyphenyl)-3-methylidene-1,4-dioxan-2-yl]-6-(methoxymethoxy)hexan-2-yl]oxy-tert-butyl-diphenylsilane

C43H54O7Si — CID 15940738

IUPAC[(2R,6S)-6-[(2S,5S,6S)-5,6-bis(4-methoxyphenyl)-3-methylidene-1,4-dioxan-2-yl]-6-(methoxymethoxy)hexan-2-yl]oxy-tert-butyl-diphenylsilane
SMILESC=C1O[C@@H](c2ccc(OC)cc2)[C@H](c2ccc(OC)cc2)O[C@H]1[C@H](CCC[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOC
InChIInChI=1S/C43H54O7Si/c1-31(50-51(43(3,4)5,37-17-11-9-12-18-37)38-19-13-10-14-20-38)16-15-21-39(47-30-44-6)40-32(2)48-41(33-22-26-35(45-7)27-23-33)42(49-40)34-24-28-36(46-8)29-25-34/h9-14,17-20,22-29,31,39-42H,2,15-16,21,30H2,1,3-8H3/t31-,39+,40-,41+,42+/m1/s1
InChIKeyHPRMDOAMTMXELW-DTPTVLEDSA-N
MW710.98 g/mol
LogP8.54
Rot. Bonds16

About [(2R,6S)-6-[(2S,5S,6S)-5,6-bis(4-methoxyphenyl)-3-methylidene-1,4-dioxan-2-yl]-6-(methoxymethoxy)hexan-2-yl]oxy-tert-butyl-diphenylsilane

[(2R,6S)-6-[(2S,5S,6S)-5,6-bis(4-methoxyphenyl)-3-methylidene-1,4-dioxan-2-yl]-6-(methoxymethoxy)hexan-2-yl]oxy-tert-butyl-diphenylsilane (PubChem CID 15940738) has the molecular formula C43H54O7Si and a molecular weight of 710.98 g/mol. Its IUPAC name is [(2R,6S)-6-[(2S,5S,6S)-5,6-bis(4-methoxyphenyl)-3-methylidene-1,4-dioxan-2-yl]-6-(methoxymethoxy)hexan-2-yl]oxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2R,6S)-6-[(2S,5S,6S)-5,6-bis(4-methoxyphenyl)-3-methylidene-1,4-dioxan-2-yl]-6-(methoxymethoxy)hexan-2-yl]oxy-tert-butyl-diphenylsilane
PubChem CID15940738
Molecular FormulaC43H54O7Si
Molecular Weight710.98 g/mol
Exact Mass710.36
IUPAC Name[(2R,6S)-6-[(2S,5S,6S)-5,6-bis(4-methoxyphenyl)-3-methylidene-1,4-dioxan-2-yl]-6-(methoxymethoxy)hexan-2-yl]oxy-tert-butyl-diphenylsilane
SMILESC=C1O[C@@H](c2ccc(OC)cc2)[C@H](c2ccc(OC)cc2)O[C@H]1[C@H](CCC[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOC
InChIInChI=1S/C43H54O7Si/c1-31(50-51(43(3,4)5,37-17-11-9-12-18-37)38-19-13-10-14-20-38)16-15-21-39(47-30-44-6)40-32(2)48-41(33-22-26-35(45-7)27-23-33)42(49-40)34-24-28-36(46-8)29-25-34/h9-14,17-20,22-29,31,39-42H,2,15-16,21,30H2,1,3-8H3/t31-,39+,40-,41+,42+/m1/s1
InChIKeyHPRMDOAMTMXELW-DTPTVLEDSA-N
XLogP8.54
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.98
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2R,6S)-6-[(2S,5S,6S)-5,6-bis(4-methoxyphenyl)-3-methylidene-1,4-dioxan-2-yl]-6-(methoxymethoxy)hexan-2-yl]oxy-tert-butyl-diphenylsilane with MolForge

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Related Compounds

(2S,4S,5S)-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-5-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dioxane
CID 118720800
(2R,4R,5R)-4-(2-methoxyphenyl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-5-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dioxane
CID 118720803
3-[1-[4-[4-[1-(1,2,5-Trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane
CID 25004120
3-[1-[4-[3-[4-[1-(1,2,5-Trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]propoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane
CID 25159215
[(2R,3R,4S,5R,6S)-4-heptoxy-3-[(4-methoxyphenyl)methoxy]-5,6-bis(phenylmethoxy)oxan-2-yl]methanol
CID 10370973
3-[1-[3-[4-[1-(1,2,5-Trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane
CID 25004123
3-[1-[4-[3,5-Bis[4-[1-(1,2,5-trioxaspiro[5.5]undecan-3-yl)ethenyl]phenoxy]phenoxy]phenyl]ethenyl]-1,2,5-trioxaspiro[5.5]undecane
CID 25155053
(2R,4aR,6S,7R,8S,8aR)-8-heptoxy-2-(4-methoxyphenyl)-6,7-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 44385975
(2R,3R,4S,5R,6S)-4-heptoxy-3-[(4-methoxyphenyl)methoxy]-2-(2-methylprop-1-enyl)-5,6-bis(phenylmethoxy)oxane
CID 44386031
(2R,3R,4S,5R,6S)-4-heptoxy-3-[(4-methoxyphenyl)methoxy]-2-(2-methylpropyl)-5,6-bis(phenylmethoxy)oxane
CID 44386306
(2R,4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-(4-methoxyphenyl)-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 44408897
(2R,3S,4S,5R,6R)-5-(4-cyclohexyloxyphenoxy)-6-methoxy-2-[(4-phenylphenoxy)methyl]oxane-3,4-diol
CID 46861717

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-6-[(2S,5S,6S)-5,6-bis(4-methoxyphenyl)-3-methylidene-1,4-dioxan-2-yl]-6-(methoxymethoxy)hexan-2-yl]oxy-tert-butyl-diphenylsilane?
The IUPAC name of [(2R,6S)-6-[(2S,5S,6S)-5,6-bis(4-methoxyphenyl)-3-methylidene-1,4-dioxan-2-yl]-6-(methoxymethoxy)hexan-2-yl]oxy-tert-butyl-diphenylsilane (CID 15940738) is [(2R,6S)-6-[(2S,5S,6S)-5,6-bis(4-methoxyphenyl)-3-methylidene-1,4-dioxan-2-yl]-6-(methoxymethoxy)hexan-2-yl]oxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2R,6S)-6-[(2S,5S,6S)-5,6-bis(4-methoxyphenyl)-3-methylidene-1,4-dioxan-2-yl]-6-(methoxymethoxy)hexan-2-yl]oxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(2R,6S)-6-[(2S,5S,6S)-5,6-bis(4-methoxyphenyl)-3-methylidene-1,4-dioxan-2-yl]-6-(methoxymethoxy)hexan-2-yl]oxy-tert-butyl-diphenylsilane is C=C1O[C@@H](c2ccc(OC)cc2)[C@H](c2ccc(OC)cc2)O[C@H]1[C@H](CCC[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOC.
What is the InChIKey of [(2R,6S)-6-[(2S,5S,6S)-5,6-bis(4-methoxyphenyl)-3-methylidene-1,4-dioxan-2-yl]-6-(methoxymethoxy)hexan-2-yl]oxy-tert-butyl-diphenylsilane?
The InChIKey is HPRMDOAMTMXELW-DTPTVLEDSA-N. The full InChI is InChI=1S/C43H54O7Si/c1-31(50-51(43(3,4)5,37-17-11-9-12-18-37)38-19-13-10-14-20-38)16-15-21-39(47-30-44-6)40-32(2)48-41(33-22-26-35(45-7)27-23-33)42(49-40)34-24-28-36(46-8)29-25-34/h9-14,17-20,22-29,31,39-42H,2,15-16,21,30H2,1,3-8H3/t31-,39+,40-,41+,42+/m1/s1.
What are the key properties of [(2R,6S)-6-[(2S,5S,6S)-5,6-bis(4-methoxyphenyl)-3-methylidene-1,4-dioxan-2-yl]-6-(methoxymethoxy)hexan-2-yl]oxy-tert-butyl-diphenylsilane?
[(2R,6S)-6-[(2S,5S,6S)-5,6-bis(4-methoxyphenyl)-3-methylidene-1,4-dioxan-2-yl]-6-(methoxymethoxy)hexan-2-yl]oxy-tert-butyl-diphenylsilane has a molecular weight of 710.98 g/mol, XLogP of 8.54, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-6-[(2S,5S,6S)-5,6-bis(4-methoxyphenyl)-3-methylidene-1,4-dioxan-2-yl]-6-(methoxymethoxy)hexan-2-yl]oxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 15940738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).