tert-butyl-[3-[(2R,4R,5S,6S)-2-(4-methoxyphenyl)-5-methyl-6-propan-2-yl-1,3-dioxan-4-yl]propoxy]-dimethylsilane

C24H42O4Si — CID 11732597

IUPACtert-butyl-[3-[(2R,4R,5S,6S)-2-(4-methoxyphenyl)-5-methyl-6-propan-2-yl-1,3-dioxan-4-yl]propoxy]-dimethylsilane
SMILESCOc1ccc([C@@H]2O[C@H](CCCO[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](C(C)C)O2)cc1
InChIInChI=1S/C24H42O4Si/c1-17(2)22-18(3)21(11-10-16-26-29(8,9)24(4,5)6)27-23(28-22)19-12-14-20(25-7)15-13-19/h12-15,17-18,21-23H,10-11,16H2,1-9H3/t18-,21+,22-,23+/m0/s1
InChIKeyPQRAYXGFPPVQGP-OUFMZXHOSA-N
MW422.68 g/mol
LogP6.57
Rot. Bonds8

About tert-butyl-[3-[(2R,4R,5S,6S)-2-(4-methoxyphenyl)-5-methyl-6-propan-2-yl-1,3-dioxan-4-yl]propoxy]-dimethylsilane

tert-butyl-[3-[(2R,4R,5S,6S)-2-(4-methoxyphenyl)-5-methyl-6-propan-2-yl-1,3-dioxan-4-yl]propoxy]-dimethylsilane (PubChem CID 11732597) has the molecular formula C24H42O4Si and a molecular weight of 422.68 g/mol. Its IUPAC name is tert-butyl-[3-[(2R,4R,5S,6S)-2-(4-methoxyphenyl)-5-methyl-6-propan-2-yl-1,3-dioxan-4-yl]propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[(2R,4R,5S,6S)-2-(4-methoxyphenyl)-5-methyl-6-propan-2-yl-1,3-dioxan-4-yl]propoxy]-dimethylsilane
PubChem CID11732597
Molecular FormulaC24H42O4Si
Molecular Weight422.68 g/mol
Exact Mass422.29
IUPAC Nametert-butyl-[3-[(2R,4R,5S,6S)-2-(4-methoxyphenyl)-5-methyl-6-propan-2-yl-1,3-dioxan-4-yl]propoxy]-dimethylsilane
SMILESCOc1ccc([C@@H]2O[C@H](CCCO[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](C(C)C)O2)cc1
InChIInChI=1S/C24H42O4Si/c1-17(2)22-18(3)21(11-10-16-26-29(8,9)24(4,5)6)27-23(28-22)19-12-14-20(25-7)15-13-19/h12-15,17-18,21-23H,10-11,16H2,1-9H3/t18-,21+,22-,23+/m0/s1
InChIKeyPQRAYXGFPPVQGP-OUFMZXHOSA-N
XLogP6.57
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.68
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[3-[(2R,4R,5S,6S)-2-(4-methoxyphenyl)-5-methyl-6-propan-2-yl-1,3-dioxan-4-yl]propoxy]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4S,5S)-4-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy-tert-butyl-dimethylsilane
CID 11685963
tert-butyl-[2-[1-(4-methoxyphenyl)aziridin-2-yl]ethoxy]-dimethylsilane
CID 10494970
1-[(2R,4R,5S,6S)-5-methyl-2-phenyl-6-propan-2-yl-1,3-dioxan-4-yl]propan-2-one
CID 10446163
tert-butyl-[(6R)-8,8-difluoro-6-(4-methoxyphenyl)sulfanyloct-7-enoxy]-dimethylsilane
CID 162623282
tert-butyl-[[2-(4-methoxyphenyl)-5-nitro-1,3-dioxan-5-yl]methoxy]-dimethylsilane
CID 12987110
[(2R,4aR,6S,7R,8aS)-2-(4-methoxyphenyl)-6-(3-phenylsulfanylpropyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane
CID 11752918
(2S)-2-[(4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propan-1-ol
CID 11054609
(2S)-2-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propan-1-ol
CID 129384933
(1R)-1-[(2S,4S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-2-[(4-methoxyphenyl)methoxy]ethanol
CID 10502461
tert-butyl-[4-(4-methoxyphenyl)-4-phenylsulfanylbutoxy]-dimethylsilane
CID 135029835
[(2R,3R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 102420199
2-[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,3-dioxan-4-yl]ethanol
CID 139258670

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[(2R,4R,5S,6S)-2-(4-methoxyphenyl)-5-methyl-6-propan-2-yl-1,3-dioxan-4-yl]propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-[(2R,4R,5S,6S)-2-(4-methoxyphenyl)-5-methyl-6-propan-2-yl-1,3-dioxan-4-yl]propoxy]-dimethylsilane (CID 11732597) is tert-butyl-[3-[(2R,4R,5S,6S)-2-(4-methoxyphenyl)-5-methyl-6-propan-2-yl-1,3-dioxan-4-yl]propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-[(2R,4R,5S,6S)-2-(4-methoxyphenyl)-5-methyl-6-propan-2-yl-1,3-dioxan-4-yl]propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-[(2R,4R,5S,6S)-2-(4-methoxyphenyl)-5-methyl-6-propan-2-yl-1,3-dioxan-4-yl]propoxy]-dimethylsilane is COc1ccc([C@@H]2O[C@H](CCCO[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](C(C)C)O2)cc1.
What is the InChIKey of tert-butyl-[3-[(2R,4R,5S,6S)-2-(4-methoxyphenyl)-5-methyl-6-propan-2-yl-1,3-dioxan-4-yl]propoxy]-dimethylsilane?
The InChIKey is PQRAYXGFPPVQGP-OUFMZXHOSA-N. The full InChI is InChI=1S/C24H42O4Si/c1-17(2)22-18(3)21(11-10-16-26-29(8,9)24(4,5)6)27-23(28-22)19-12-14-20(25-7)15-13-19/h12-15,17-18,21-23H,10-11,16H2,1-9H3/t18-,21+,22-,23+/m0/s1.
What are the key properties of tert-butyl-[3-[(2R,4R,5S,6S)-2-(4-methoxyphenyl)-5-methyl-6-propan-2-yl-1,3-dioxan-4-yl]propoxy]-dimethylsilane?
tert-butyl-[3-[(2R,4R,5S,6S)-2-(4-methoxyphenyl)-5-methyl-6-propan-2-yl-1,3-dioxan-4-yl]propoxy]-dimethylsilane has a molecular weight of 422.68 g/mol, XLogP of 6.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[(2R,4R,5S,6S)-2-(4-methoxyphenyl)-5-methyl-6-propan-2-yl-1,3-dioxan-4-yl]propoxy]-dimethylsilane is sourced from PubChem (CID 11732597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).