[(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

C35H66O7Si2 — CID 134990310

IUPAC[(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
SMILESCCCCOCC[C@@H]1O[C@H](C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](OC)[C@H]1COCc1ccc(OC)cc1
InChIInChI=1S/C35H66O7Si2/c1-14-15-21-38-22-20-31-30(26-39-24-27-16-18-28(36-8)19-17-27)33(37-9)32(41-31)23-29(42-44(12,13)35(5,6)7)25-40-43(10,11)34(2,3)4/h16-19,29-33H,14-15,20-26H2,1-13H3/t29-,30-,31-,32+,33+/m0/s1
InChIKeyMUZBYDXFGPNHAY-IJLINHMISA-N
MW655.08 g/mol
LogP8.62
Rot. Bonds19

About [(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

[(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 (PubChem CID 134990310) has the molecular formula C35H66O7Si2 and a molecular weight of 655.08 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID134990310
Molecular FormulaC35H66O7Si2
Molecular Weight655.08 g/mol
Exact Mass654.43
IUPAC Name[(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
SMILESCCCCOCC[C@@H]1O[C@H](C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](OC)[C@H]1COCc1ccc(OC)cc1
InChIInChI=1S/C35H66O7Si2/c1-14-15-21-38-22-20-31-30(26-39-24-27-16-18-28(36-8)19-17-27)33(37-9)32(41-31)23-29(42-44(12,13)35(5,6)7)25-40-43(10,11)34(2,3)4/h16-19,29-33H,14-15,20-26H2,1-13H3/t29-,30-,31-,32+,33+/m0/s1
InChIKeyMUZBYDXFGPNHAY-IJLINHMISA-N
XLogP8.62
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.08
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(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 with MolForge

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Related Compounds

2,5-Anhydro-2-(4-methoxyphenyl)hexitol
CID 266792
(2R,5S)-2-(acetoxymethyl)-5-(4-methoxyphenyl)tetrahydrofuran-3,4-diyl diacetate
CID 145962520
Triethyl(4-methoxybenzyloxy)silane
CID 578646
4-Methoxybenzyl alcohol, tert-butyldimethylsilyl ether
CID 11075968
2-(4-Methoxyphenyl)-4-methyltetrahydrofuran
CID 12007912
tert-butyl-[(3S,4S,5R)-2-fluoro-5-[(4-methoxyphenyl)methoxy]-3-phenylselanyloxan-4-yl]oxy-dimethylsilane
CID 11071453
[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[(2R)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]-3,6-dihydro-2H-pyran-5-yl] trifluoromethanesulfonate
CID 11227032
1-Allyl(dimethyl)silyloxymethyl-4-methoxybenzene
CID 578604
(E,3S,4R,5S)-5-[(4-methoxyphenyl)methoxy]-7-[(1R,3R,4R)-3-methoxy-4-tri(propan-2-yl)silyloxycyclohexyl]-4,6-dimethylhept-6-ene-1,3-diol
CID 10674736
ethenyl-[(4R,5S)-5-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-7-[(4-methoxyphenyl)methoxy]hept-1-en-4-yl]oxy-dimethylsilane
CID 11410168
(6R)-6-[(1S)-1-[(Z,3S)-1-iodopent-1-en-3-yl]oxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,2-dimethyl-5,6-dihydrooxasiline
CID 11477851
methyl (E,2R,3S,4S,5R,6S,7R,10S,11S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-11-[(4-methoxyphenyl)methoxy]-4,6,8,10-tetramethyl-5-triethylsilyloxydodec-8-enoate
CID 11787712

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CCCCOCC[C@@H]1O[C@H](C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](OC)[C@H]1COCc1ccc(OC)cc1.
What is the InChIKey of [(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?
The InChIKey is MUZBYDXFGPNHAY-IJLINHMISA-N. The full InChI is InChI=1S/C35H66O7Si2/c1-14-15-21-38-22-20-31-30(26-39-24-27-16-18-28(36-8)19-17-27)33(37-9)32(41-31)23-29(42-44(12,13)35(5,6)7)25-40-43(10,11)34(2,3)4/h16-19,29-33H,14-15,20-26H2,1-13H3/t29-,30-,31-,32+,33+/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 655.08 g/mol, XLogP of 8.62, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 134990310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).