tert-butyl-[[(2R,3S,4S)-2-[(S)-[(2R,4S,5S,6R)-2-methoxy-5-methyl-4-trimethylsilyloxy-6-(4-trimethylsilyloxybutyl)oxan-2-yl]-trimethylsilyloxymethyl]-3-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane

C33H70O7Si4 — CID 11273976

IUPACtert-butyl-[[(2R,3S,4S)-2-[(S)-[(2R,4S,5S,6R)-2-methoxy-5-methyl-4-trimethylsilyloxy-6-(4-trimethylsilyloxybutyl)oxan-2-yl]-trimethylsilyloxymethyl]-3-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
SMILESCO[C@]1([C@@H](O[Si](C)(C)C)[C@@H]2OC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2C)C[C@H](O[Si](C)(C)C)[C@@H](C)[C@@H](CCCCO[Si](C)(C)C)O1
InChIInChI=1S/C33H70O7Si4/c1-25-27(20-18-19-22-36-41(7,8)9)37-33(34-6,24-29(25)38-42(10,11)12)31(40-43(13,14)15)30-26(2)28(21-23-35-30)39-44(16,17)32(3,4)5/h21,23,25-31H,18-20,22,24H2,1-17H3/t25-,26+,27+,28-,29-,30+,31-,33+/m0/s1
InChIKeyJBAOKMRWBCYXBU-YQPXAALQSA-N
MW691.26 g/mol
LogP9.16
Rot. Bonds15

About tert-butyl-[[(2R,3S,4S)-2-[(S)-[(2R,4S,5S,6R)-2-methoxy-5-methyl-4-trimethylsilyloxy-6-(4-trimethylsilyloxybutyl)oxan-2-yl]-trimethylsilyloxymethyl]-3-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane

tert-butyl-[[(2R,3S,4S)-2-[(S)-[(2R,4S,5S,6R)-2-methoxy-5-methyl-4-trimethylsilyloxy-6-(4-trimethylsilyloxybutyl)oxan-2-yl]-trimethylsilyloxymethyl]-3-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane (PubChem CID 11273976) has the molecular formula C33H70O7Si4 and a molecular weight of 691.26 g/mol. Its IUPAC name is tert-butyl-[[(2R,3S,4S)-2-[(S)-[(2R,4S,5S,6R)-2-methoxy-5-methyl-4-trimethylsilyloxy-6-(4-trimethylsilyloxybutyl)oxan-2-yl]-trimethylsilyloxymethyl]-3-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3S,4S)-2-[(S)-[(2R,4S,5S,6R)-2-methoxy-5-methyl-4-trimethylsilyloxy-6-(4-trimethylsilyloxybutyl)oxan-2-yl]-trimethylsilyloxymethyl]-3-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
PubChem CID11273976
Molecular FormulaC33H70O7Si4
Molecular Weight691.26 g/mol
Exact Mass690.42
IUPAC Nametert-butyl-[[(2R,3S,4S)-2-[(S)-[(2R,4S,5S,6R)-2-methoxy-5-methyl-4-trimethylsilyloxy-6-(4-trimethylsilyloxybutyl)oxan-2-yl]-trimethylsilyloxymethyl]-3-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
SMILESCO[C@]1([C@@H](O[Si](C)(C)C)[C@@H]2OC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2C)C[C@H](O[Si](C)(C)C)[C@@H](C)[C@@H](CCCCO[Si](C)(C)C)O1
InChIInChI=1S/C33H70O7Si4/c1-25-27(20-18-19-22-36-41(7,8)9)37-33(34-6,24-29(25)38-42(10,11)12)31(40-43(13,14)15)30-26(2)28(21-23-35-30)39-44(16,17)32(3,4)5/h21,23,25-31H,18-20,22,24H2,1-17H3/t25-,26+,27+,28-,29-,30+,31-,33+/m0/s1
InChIKeyJBAOKMRWBCYXBU-YQPXAALQSA-N
XLogP9.16
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.26
LogP ≤ 59.16
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 tert-butyl-[[(2R,3S,4S)-2-[(S)-[(2R,4S,5S,6R)-2-methoxy-5-methyl-4-trimethylsilyloxy-6-(4-trimethylsilyloxybutyl)oxan-2-yl]-trimethylsilyloxymethyl]-3-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane with MolForge

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Related Compounds

tert-butyl-[(2R,4S,5S,6R)-2-methoxy-5-methyl-2-[(S)-[(1R,3R,4S,5R,6S)-4-methyl-5-triethylsilyloxy-2,7-dioxabicyclo[4.1.0]heptan-3-yl]-triethylsilyloxymethyl]-6-(4-phenylmethoxybutyl)oxan-4-yl]oxy-dimethylsilane
CID 11051088
tert-butyl-[(4S,5E)-2-[[(2R,3R,4R,5S,6R)-6-[(S)-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(4-iodobutyl)-2-methoxy-5-methyloxan-2-yl]-triethylsilyloxymethyl]-5-methyl-3,4-bis(triethylsilyloxy)oxan-2-yl]methyl]octa-1,5,7-trien-4-yl]oxy-dimethylsilane
CID 11400599
tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 59672533
4-[(2R,3R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(S)-[(2R,3R,4R,5S,6R)-6-[(4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylideneocta-5,7-dienyl]-3-methyl-4,5-bis(triethylsilyloxy)oxan-2-yl]-triethylsilyloxymethyl]-6-methoxy-3-methyloxan-2-yl]butyl-triphenylphosphanium
CID 101451631
tert-butyl-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 11824133
(2R)-2-[(2S,4S,5S,6S)-6-[(2S,3E,6R,7E,9E)-10-bromo-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxydeca-3,7,9-trienyl]-2-methoxy-5-methyl-4-triethylsilyloxyoxan-2-yl]propan-1-ol
CID 102184922
trimethyl-[[(2R,3S)-3-trimethylsilyloxy-2,3-dihydrofuran-2-yl]methoxy]silane
CID 11129066
[(3aR,7R,7aR)-2,2-ditert-butyl-7,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 177461048
tert-butyl-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy]-diphenylsilane
CID 102304224
[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate
CID 14054746
[(2R,3S,5S,7S,8S,9R)-7-[tert-butyl(diphenyl)silyl]oxy-4,4,8-trimethyl-2-[(2R)-oxiran-2-yl]-9-(2-phenylmethoxyethyl)-1,10-dioxaspiro[4.5]decan-3-yl] acetate
CID 100997760
prop-2-enyl 2-[(2S,4S,6S,8R,10S)-10-acetyloxy-2-[(3R,4S,5S)-4-acetyloxy-7-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-5-[(2R,3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(S)-[(2R,3S,4R,5R,6R)-6-[(4S,5E)-7-chloro-2-methylidene-4-trimethylsilyloxyocta-5,7-dienyl]-5-hydroxy-3-methyl-4-triethylsilyloxyoxan-2-yl]-triethylsilyloxymethyl]-6-methoxy-3-methyloxan-2-yl]pent-1-enyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]-3,5-dimethyl-2-methylidene-6-oxoheptyl]-4-methyl-4-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]acetate
CID 11378429

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,3S,4S)-2-[(S)-[(2R,4S,5S,6R)-2-methoxy-5-methyl-4-trimethylsilyloxy-6-(4-trimethylsilyloxybutyl)oxan-2-yl]-trimethylsilyloxymethyl]-3-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2R,3S,4S)-2-[(S)-[(2R,4S,5S,6R)-2-methoxy-5-methyl-4-trimethylsilyloxy-6-(4-trimethylsilyloxybutyl)oxan-2-yl]-trimethylsilyloxymethyl]-3-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane (CID 11273976) is tert-butyl-[[(2R,3S,4S)-2-[(S)-[(2R,4S,5S,6R)-2-methoxy-5-methyl-4-trimethylsilyloxy-6-(4-trimethylsilyloxybutyl)oxan-2-yl]-trimethylsilyloxymethyl]-3-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2R,3S,4S)-2-[(S)-[(2R,4S,5S,6R)-2-methoxy-5-methyl-4-trimethylsilyloxy-6-(4-trimethylsilyloxybutyl)oxan-2-yl]-trimethylsilyloxymethyl]-3-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2R,3S,4S)-2-[(S)-[(2R,4S,5S,6R)-2-methoxy-5-methyl-4-trimethylsilyloxy-6-(4-trimethylsilyloxybutyl)oxan-2-yl]-trimethylsilyloxymethyl]-3-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane is CO[C@]1([C@@H](O[Si](C)(C)C)[C@@H]2OC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2C)C[C@H](O[Si](C)(C)C)[C@@H](C)[C@@H](CCCCO[Si](C)(C)C)O1.
What is the InChIKey of tert-butyl-[[(2R,3S,4S)-2-[(S)-[(2R,4S,5S,6R)-2-methoxy-5-methyl-4-trimethylsilyloxy-6-(4-trimethylsilyloxybutyl)oxan-2-yl]-trimethylsilyloxymethyl]-3-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane?
The InChIKey is JBAOKMRWBCYXBU-YQPXAALQSA-N. The full InChI is InChI=1S/C33H70O7Si4/c1-25-27(20-18-19-22-36-41(7,8)9)37-33(34-6,24-29(25)38-42(10,11)12)31(40-43(13,14)15)30-26(2)28(21-23-35-30)39-44(16,17)32(3,4)5/h21,23,25-31H,18-20,22,24H2,1-17H3/t25-,26+,27+,28-,29-,30+,31-,33+/m0/s1.
What are the key properties of tert-butyl-[[(2R,3S,4S)-2-[(S)-[(2R,4S,5S,6R)-2-methoxy-5-methyl-4-trimethylsilyloxy-6-(4-trimethylsilyloxybutyl)oxan-2-yl]-trimethylsilyloxymethyl]-3-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane?
tert-butyl-[[(2R,3S,4S)-2-[(S)-[(2R,4S,5S,6R)-2-methoxy-5-methyl-4-trimethylsilyloxy-6-(4-trimethylsilyloxybutyl)oxan-2-yl]-trimethylsilyloxymethyl]-3-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane has a molecular weight of 691.26 g/mol, XLogP of 9.16, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,3S,4S)-2-[(S)-[(2R,4S,5S,6R)-2-methoxy-5-methyl-4-trimethylsilyloxy-6-(4-trimethylsilyloxybutyl)oxan-2-yl]-trimethylsilyloxymethyl]-3-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane is sourced from PubChem (CID 11273976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).