[(4S,5S)-4-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy-tert-butyl-dimethylsilane

C32H62O6Si3 — CID 11685963

IUPAC[(4S,5S)-4-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCOc1ccc(C2OC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CC(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)cc1
InChIInChI=1S/C32H62O6Si3/c1-30(2,3)39(11,12)35-22-26(37-40(13,14)31(4,5)6)21-27-28(38-41(15,16)32(7,8)9)23-34-29(36-27)24-17-19-25(33-10)20-18-24/h17-20,26-29H,21-23H2,1-16H3/t26?,27-,28-,29?/m0/s1
InChIKeyFCDIPWXCSYMVAY-CGCRQRNGSA-N
MW627.10 g/mol
LogP9.30
Rot. Bonds11

About [(4S,5S)-4-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy-tert-butyl-dimethylsilane

[(4S,5S)-4-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11685963) has the molecular formula C32H62O6Si3 and a molecular weight of 627.10 g/mol. Its IUPAC name is [(4S,5S)-4-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4S,5S)-4-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11685963
Molecular FormulaC32H62O6Si3
Molecular Weight627.10 g/mol
Exact Mass626.39
IUPAC Name[(4S,5S)-4-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCOc1ccc(C2OC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CC(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)cc1
InChIInChI=1S/C32H62O6Si3/c1-30(2,3)39(11,12)35-22-26(37-40(13,14)31(4,5)6)21-27-28(38-41(15,16)32(7,8)9)23-34-29(36-27)24-17-19-25(33-10)20-18-24/h17-20,26-29H,21-23H2,1-16H3/t26?,27-,28-,29?/m0/s1
InChIKeyFCDIPWXCSYMVAY-CGCRQRNGSA-N
XLogP9.30
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.10
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(4S,5S)-4-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy-tert-butyl-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

[(2R,4S,5R)-5-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-en-2-yl]oxy-2-phenyl-1,3-dioxan-4-yl]methanol
CID 11489560
methyl (E)-4-[(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-1,3-dioxan-4-yl]but-2-enoate
CID 11811274
[(2S)-1-[(2R,3R,4S,5S)-5-(2-butoxyethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxymethyl]oxolan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-tert-butyl-dimethylsilane
CID 134990310
tert-butyl-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-4-(2-methylprop-2-enyl)-2-phenyl-1,3-dioxan-5-yl]oxy]pent-4-enoxy]-dimethylsilane
CID 11261546
[(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
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
(3S,4S)-4-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-methyloxetan-2-one
CID 10500503
(2R)-2-[[(2R,4S,5R)-2-(4-methoxyphenyl)-4-prop-2-enyl-1,3-dioxan-5-yl]oxy]pent-4-en-1-ol
CID 101354260
[(2R,4R,5R)-2-(4-methoxyphenyl)-5-propoxy-1,3-dioxan-4-yl]methanol
CID 71146249
CID 59269508
CID 59269508
(2S,4R,5R)-4-[(2R,4R,5R)-5-hydroxy-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-2-(4-methoxyphenyl)-1,3-dioxan-5-ol
CID 86310159
[(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

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-4-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(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) is [(4S,5S)-4-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4S,5S)-4-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4S,5S)-4-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy-tert-butyl-dimethylsilane is COc1ccc(C2OC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CC(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)cc1.
What is the InChIKey of [(4S,5S)-4-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is FCDIPWXCSYMVAY-CGCRQRNGSA-N. The full InChI is InChI=1S/C32H62O6Si3/c1-30(2,3)39(11,12)35-22-26(37-40(13,14)31(4,5)6)21-27-28(38-41(15,16)32(7,8)9)23-34-29(36-27)24-17-19-25(33-10)20-18-24/h17-20,26-29H,21-23H2,1-16H3/t26?,27-,28-,29?/m0/s1.
What are the key properties of [(4S,5S)-4-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy-tert-butyl-dimethylsilane?
[(4S,5S)-4-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 627.10 g/mol, XLogP of 9.30, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-4-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11685963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).