triethyl-[(2R)-1-[2-[2-[[(4R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]prop-2-enyl]-1,3-dithian-2-yl]-4-methylidenehexan-2-yl]oxysilane

C36H60O5S2Si — CID 134878856

IUPACtriethyl-[(2R)-1-[2-[2-[[(4R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]prop-2-enyl]-1,3-dithian-2-yl]-4-methylidenehexan-2-yl]oxysilane
SMILESC=C(CC)C[C@H](CC1(CC(=C)C[C@@H]2C[C@H](COCc3ccc(OC)cc3)OC(C)(C)O2)SCCCS1)O[Si](CC)(CC)CC
InChIInChI=1S/C36H60O5S2Si/c1-10-28(5)21-33(41-44(11-2,12-3)13-4)25-36(42-19-14-20-43-36)24-29(6)22-32-23-34(40-35(7,8)39-32)27-38-26-30-15-17-31(37-9)18-16-30/h15-18,32-34H,5-6,10-14,19-27H2,1-4,7-9H3/t32-,33-,34-/m1/s1
InChIKeyYNOMAHHAZQICHS-CKOYEXALSA-N
MW665.09 g/mol
LogP10.16
Rot. Bonds19

About triethyl-[(2R)-1-[2-[2-[[(4R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]prop-2-enyl]-1,3-dithian-2-yl]-4-methylidenehexan-2-yl]oxysilane

triethyl-[(2R)-1-[2-[2-[[(4R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]prop-2-enyl]-1,3-dithian-2-yl]-4-methylidenehexan-2-yl]oxysilane (PubChem CID 134878856) has the molecular formula C36H60O5S2Si and a molecular weight of 665.09 g/mol. Its IUPAC name is triethyl-[(2R)-1-[2-[2-[[(4R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]prop-2-enyl]-1,3-dithian-2-yl]-4-methylidenehexan-2-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(2R)-1-[2-[2-[[(4R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]prop-2-enyl]-1,3-dithian-2-yl]-4-methylidenehexan-2-yl]oxysilane
PubChem CID134878856
Molecular FormulaC36H60O5S2Si
Molecular Weight665.09 g/mol
Exact Mass664.37
IUPAC Nametriethyl-[(2R)-1-[2-[2-[[(4R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]prop-2-enyl]-1,3-dithian-2-yl]-4-methylidenehexan-2-yl]oxysilane
SMILESC=C(CC)C[C@H](CC1(CC(=C)C[C@@H]2C[C@H](COCc3ccc(OC)cc3)OC(C)(C)O2)SCCCS1)O[Si](CC)(CC)CC
InChIInChI=1S/C36H60O5S2Si/c1-10-28(5)21-33(41-44(11-2,12-3)13-4)25-36(42-19-14-20-43-36)24-29(6)22-32-23-34(40-35(7,8)39-32)27-38-26-30-15-17-31(37-9)18-16-30/h15-18,32-34H,5-6,10-14,19-27H2,1-4,7-9H3/t32-,33-,34-/m1/s1
InChIKeyYNOMAHHAZQICHS-CKOYEXALSA-N
XLogP10.16
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.09
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R,6R,15R)-4-[(4-methoxyphenyl)methoxymethyl]-15-(2-methylidenebutyl)-5,16-dioxa-9,13-dithiadispiro[5.1.58.36]hexadecan-2-ol
CID 11386381
tert-butyl-[(2Z)-2-[(2S,6R)-2-[[2-[2-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-yl]-1,3-dithian-2-yl]methyl]-6-[(4-methoxyphenyl)methoxymethyl]oxan-4-ylidene]ethoxy]-diphenylsilane
CID 11974080
tert-butyl-[(1S,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(1R)-1-(1,3-dithian-2-yl)ethyl]-6-methoxy-5-[(4-methoxyphenyl)methoxy]-2-methylhexoxy]-dimethylsilane
CID 11169848
tert-butyl-[(E)-4-[(2S)-2-[(2R,3R)-2-[(4-methoxyphenyl)methoxy]-3-(phenylmethoxymethoxy)butyl]-3,4-dihydro-2H-pyran-6-yl]-4-methylpent-2-enoxy]-dimethylsilane
CID 51356796
(6S,8R,10R)-6-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-10-[(2S,4R)-2-(methoxymethoxy)-4-(2-methyl-1,3-dithiolan-2-yl)pentyl]-8-(4-methoxyphenyl)-7,9-dioxa-1,4-dithiaspiro[4.5]decane
CID 10508690
[(2R,6R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[2-[(4-methoxyphenyl)methoxy]ethyl]-3,6-dihydro-2H-pyran-4-yl]oxy-triethylsilane
CID 10719454
(2S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropyl]-1,3-dithian-2-yl]-4-[(3,4-dimethoxyphenyl)methoxy]butan-2-ol
CID 10908404
tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-4-[2-[[(2S,6R)-4,4-dimethoxy-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-1,3-dithian-2-yl]-4-methylpentan-3-yl]oxy-dimethylsilane
CID 11018085
[(2R,3R)-1-[(2S)-6-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-3,4-dihydro-2H-pyran-2-yl]-3-[(4-methoxyphenyl)methoxy]butan-2-yl]oxy-tert-butyl-dimethylsilane
CID 11082575
tert-butyl-[[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]oxan-2-yl]methoxy]-dimethylsilane
CID 11125732
tert-butyl-[(1R)-1-[(2S,3R,5R)-3-[dimethyl(phenyl)silyl]-5-[[2-[(2S)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]-1,3-dithian-2-yl]methyl]oxolan-2-yl]-3-triethylsilylprop-2-ynoxy]-dimethylsilane
CID 11205116
tert-butyl-[(4S,6R,7R)-6-[(4-methoxyphenyl)methoxy]-7-(phenylmethoxymethoxy)oct-1-en-4-yl]oxy-dimethylsilane
CID 11295275

Frequently Asked Questions

What is the IUPAC name of triethyl-[(2R)-1-[2-[2-[[(4R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]prop-2-enyl]-1,3-dithian-2-yl]-4-methylidenehexan-2-yl]oxysilane?
The IUPAC name of triethyl-[(2R)-1-[2-[2-[[(4R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]prop-2-enyl]-1,3-dithian-2-yl]-4-methylidenehexan-2-yl]oxysilane (CID 134878856) is triethyl-[(2R)-1-[2-[2-[[(4R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]prop-2-enyl]-1,3-dithian-2-yl]-4-methylidenehexan-2-yl]oxysilane.
What is the SMILES notation for triethyl-[(2R)-1-[2-[2-[[(4R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]prop-2-enyl]-1,3-dithian-2-yl]-4-methylidenehexan-2-yl]oxysilane?
The canonical SMILES for triethyl-[(2R)-1-[2-[2-[[(4R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]prop-2-enyl]-1,3-dithian-2-yl]-4-methylidenehexan-2-yl]oxysilane is C=C(CC)C[C@H](CC1(CC(=C)C[C@@H]2C[C@H](COCc3ccc(OC)cc3)OC(C)(C)O2)SCCCS1)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(2R)-1-[2-[2-[[(4R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]prop-2-enyl]-1,3-dithian-2-yl]-4-methylidenehexan-2-yl]oxysilane?
The InChIKey is YNOMAHHAZQICHS-CKOYEXALSA-N. The full InChI is InChI=1S/C36H60O5S2Si/c1-10-28(5)21-33(41-44(11-2,12-3)13-4)25-36(42-19-14-20-43-36)24-29(6)22-32-23-34(40-35(7,8)39-32)27-38-26-30-15-17-31(37-9)18-16-30/h15-18,32-34H,5-6,10-14,19-27H2,1-4,7-9H3/t32-,33-,34-/m1/s1.
What are the key properties of triethyl-[(2R)-1-[2-[2-[[(4R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]prop-2-enyl]-1,3-dithian-2-yl]-4-methylidenehexan-2-yl]oxysilane?
triethyl-[(2R)-1-[2-[2-[[(4R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]prop-2-enyl]-1,3-dithian-2-yl]-4-methylidenehexan-2-yl]oxysilane has a molecular weight of 665.09 g/mol, XLogP of 10.16, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2R)-1-[2-[2-[[(4R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]prop-2-enyl]-1,3-dithian-2-yl]-4-methylidenehexan-2-yl]oxysilane is sourced from PubChem (CID 134878856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).