[(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

C26H42O6Si — CID 10719454

IUPAC[(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
SMILESCC[Si](CC)(CC)OC1=C[C@@H](CCOCc2ccc(OC)cc2)O[C@@H]([C@@H]2COC(C)(C)O2)C1
InChIInChI=1S/C26H42O6Si/c1-7-33(8-2,9-3)32-23-16-22(30-24(17-23)25-19-29-26(4,5)31-25)14-15-28-18-20-10-12-21(27-6)13-11-20/h10-13,16,22,24-25H,7-9,14-15,17-19H2,1-6H3/t22-,24-,25+/m1/s1
InChIKeyHYKSNAOTOXWWIT-GPXOXTDOSA-N
MW478.70 g/mol
LogP5.82
Rot. Bonds12

About [(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

[(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 (PubChem CID 10719454) has the molecular formula C26H42O6Si and a molecular weight of 478.70 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID10719454
Molecular FormulaC26H42O6Si
Molecular Weight478.70 g/mol
Exact Mass478.28
IUPAC Name[(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
SMILESCC[Si](CC)(CC)OC1=C[C@@H](CCOCc2ccc(OC)cc2)O[C@@H]([C@@H]2COC(C)(C)O2)C1
InChIInChI=1S/C26H42O6Si/c1-7-33(8-2,9-3)32-23-16-22(30-24(17-23)25-19-29-26(4,5)31-25)14-15-28-18-20-10-12-21(27-6)13-11-20/h10-13,16,22,24-25H,7-9,14-15,17-19H2,1-6H3/t22-,24-,25+/m1/s1
InChIKeyHYKSNAOTOXWWIT-GPXOXTDOSA-N
XLogP5.82
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.70
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(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 with MolForge

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Related Compounds

Verimol C
CID 85187741
Anisaldehyde propyleneglycol acetal
CID 98081
4-Methoxybenzyl glucoside
CID 22183154
2,2-Bis(4-methoxyphenyl)-1,3-dioxolane
CID 118323133
(4-Methoxyphenyl)methyl beta-D-glucopyranoside
CID 10685601
Vimalin
CID 14048616
2-(p-Methoxyphenyl)-1,3-dioxolane
CID 221627
tert-Butyl(4-(1-((2-methoxyethoxy)methoxy)-4-pentenyl)-2,6-dimethylphenoxy)dimethylsilane
CID 371295
1,3-Dioxolane-4-methanol, 2-(p-methoxyphenyl)-2-methyl-
CID 57665
1,3-Dioxolane-4-methanol, 2-ethyl-2-(p-methoxyphenyl)-
CID 58243
4-[2-[2-(4-Methoxyphenyl)ethyl]-2-methyl-1,3-dioxolan-4-yl]butan-1-ol
CID 237237
4-(2,2-Dimethyl-6-{[4-(2-methylpropoxy)phenyl]methoxy}-tetrahydro-2H-furo[2,3-D][1,3]dioxol-5-YL)-2,2-dimethyl-1,3-dioxolane
CID 3745486

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CC[Si](CC)(CC)OC1=C[C@@H](CCOCc2ccc(OC)cc2)O[C@@H]([C@@H]2COC(C)(C)O2)C1.
What is the InChIKey of [(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?
The InChIKey is HYKSNAOTOXWWIT-GPXOXTDOSA-N. The full InChI is InChI=1S/C26H42O6Si/c1-7-33(8-2,9-3)32-23-16-22(30-24(17-23)25-19-29-26(4,5)31-25)14-15-28-18-20-10-12-21(27-6)13-11-20/h10-13,16,22,24-25H,7-9,14-15,17-19H2,1-6H3/t22-,24-,25+/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 478.70 g/mol, XLogP of 5.82, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 10719454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).