(2S)-5-[(2S,6S)-2-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-1-enyl]-6-methoxy-2,3-dihydropyran-6-yl]-1-[(2S,3S,5R)-5-methoxy-3-triethylsilyloxyoxolan-2-yl]-2-methylpentan-3-one

C44H68O7Si2 — CID 101118185

IUPAC(2S)-5-[(2S,6S)-2-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-1-enyl]-6-methoxy-2,3-dihydropyran-6-yl]-1-[(2S,3S,5R)-5-methoxy-3-triethylsilyloxyoxolan-2-yl]-2-methylpentan-3-one
SMILESCC[Si](CC)(CC)O[C@H]1C[C@H](OC)O[C@H]1C[C@H](C)C(=O)CC[C@@]1(OC)C=CC[C@@H](/C=C/CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C44H68O7Si2/c1-10-52(11-2,12-3)51-41-34-42(46-8)49-40(41)33-35(4)39(45)29-31-44(47-9)30-22-24-36(50-44)23-16-15-21-32-48-53(43(5,6)7,37-25-17-13-18-26-37)38-27-19-14-20-28-38/h13-14,16-20,22-23,25-28,30,35-36,40-42H,10-12,15,21,24,29,31-34H2,1-9H3/b23-16+/t35-,36+,40-,41-,42+,44+/m0/s1
InChIKeyGLTPHULNTFGFTI-CERUGFSKSA-N
MW765.19 g/mol
LogP9.11
Rot. Bonds21

About (2S)-5-[(2S,6S)-2-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-1-enyl]-6-methoxy-2,3-dihydropyran-6-yl]-1-[(2S,3S,5R)-5-methoxy-3-triethylsilyloxyoxolan-2-yl]-2-methylpentan-3-one

(2S)-5-[(2S,6S)-2-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-1-enyl]-6-methoxy-2,3-dihydropyran-6-yl]-1-[(2S,3S,5R)-5-methoxy-3-triethylsilyloxyoxolan-2-yl]-2-methylpentan-3-one (PubChem CID 101118185) has the molecular formula C44H68O7Si2 and a molecular weight of 765.19 g/mol. Its IUPAC name is (2S)-5-[(2S,6S)-2-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-1-enyl]-6-methoxy-2,3-dihydropyran-6-yl]-1-[(2S,3S,5R)-5-methoxy-3-triethylsilyloxyoxolan-2-yl]-2-methylpentan-3-one.

Molecular Properties

Compound Name(2S)-5-[(2S,6S)-2-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-1-enyl]-6-methoxy-2,3-dihydropyran-6-yl]-1-[(2S,3S,5R)-5-methoxy-3-triethylsilyloxyoxolan-2-yl]-2-methylpentan-3-one
PubChem CID101118185
Molecular FormulaC44H68O7Si2
Molecular Weight765.19 g/mol
Exact Mass764.45
IUPAC Name(2S)-5-[(2S,6S)-2-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-1-enyl]-6-methoxy-2,3-dihydropyran-6-yl]-1-[(2S,3S,5R)-5-methoxy-3-triethylsilyloxyoxolan-2-yl]-2-methylpentan-3-one
SMILESCC[Si](CC)(CC)O[C@H]1C[C@H](OC)O[C@H]1C[C@H](C)C(=O)CC[C@@]1(OC)C=CC[C@@H](/C=C/CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C44H68O7Si2/c1-10-52(11-2,12-3)51-41-34-42(46-8)49-40(41)33-35(4)39(45)29-31-44(47-9)30-22-24-36(50-44)23-16-15-21-32-48-53(43(5,6)7,37-25-17-13-18-26-37)38-27-19-14-20-28-38/h13-14,16-20,22-23,25-28,30,35-36,40-42H,10-12,15,21,24,29,31-34H2,1-9H3/b23-16+/t35-,36+,40-,41-,42+,44+/m0/s1
InChIKeyGLTPHULNTFGFTI-CERUGFSKSA-N
XLogP9.11
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.19
LogP ≤ 59.11
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-5-[(2S,6S)-2-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-1-enyl]-6-methoxy-2,3-dihydropyran-6-yl]-1-[(2S,3S,5R)-5-methoxy-3-triethylsilyloxyoxolan-2-yl]-2-methylpentan-3-one with MolForge

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Related Compounds

(2S)-1-[(2S,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-5-[(2S,6R)-6-methoxy-2-[(E)-5-tri(propan-2-yl)silyloxypent-1-enyl]-2,5-dihydropyran-6-yl]-2-methylpentan-3-one
CID 102089648
[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] benzoate
CID 59157894
(E)-1,12-bis[[tert-butyl(diphenyl)silyl]oxy]dodec-4-en-6-one
CID 102464729
(2R,10S)-1-[(2R,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-11-[(4-methoxyphenyl)methoxy]-2-methyl-10-triethylsilyloxyundec-6-yne-3,8-dione
CID 11468714
methyl 3-[(1S,2S,3R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-bis(triethylsilyloxy)cyclopentyl]propanoate
CID 101235603
[(E)-6-[(5S,6R)-6-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-hydroxy-5-methyloxan-2-yl]-1-phenylhex-2-enyl] acetate
CID 56833322
tert-butyl-[(Z)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylpent-4-enoxy]-diphenylsilane
CID 23242491
(5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one
CID 45103028
(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolane-3-carbonitrile
CID 70226546
2-[(1S,2S,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-bis(triethylsilyloxy)cyclopentyl]acetaldehyde
CID 11193027
[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]methyl 4-methylbenzenesulfonate
CID 23583995
2-[(2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]prop-2-enyl acetate
CID 10939389

Frequently Asked Questions

What is the IUPAC name of (2S)-5-[(2S,6S)-2-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-1-enyl]-6-methoxy-2,3-dihydropyran-6-yl]-1-[(2S,3S,5R)-5-methoxy-3-triethylsilyloxyoxolan-2-yl]-2-methylpentan-3-one?
The IUPAC name of (2S)-5-[(2S,6S)-2-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-1-enyl]-6-methoxy-2,3-dihydropyran-6-yl]-1-[(2S,3S,5R)-5-methoxy-3-triethylsilyloxyoxolan-2-yl]-2-methylpentan-3-one (CID 101118185) is (2S)-5-[(2S,6S)-2-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-1-enyl]-6-methoxy-2,3-dihydropyran-6-yl]-1-[(2S,3S,5R)-5-methoxy-3-triethylsilyloxyoxolan-2-yl]-2-methylpentan-3-one.
What is the SMILES notation for (2S)-5-[(2S,6S)-2-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-1-enyl]-6-methoxy-2,3-dihydropyran-6-yl]-1-[(2S,3S,5R)-5-methoxy-3-triethylsilyloxyoxolan-2-yl]-2-methylpentan-3-one?
The canonical SMILES for (2S)-5-[(2S,6S)-2-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-1-enyl]-6-methoxy-2,3-dihydropyran-6-yl]-1-[(2S,3S,5R)-5-methoxy-3-triethylsilyloxyoxolan-2-yl]-2-methylpentan-3-one is CC[Si](CC)(CC)O[C@H]1C[C@H](OC)O[C@H]1C[C@H](C)C(=O)CC[C@@]1(OC)C=CC[C@@H](/C=C/CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of (2S)-5-[(2S,6S)-2-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-1-enyl]-6-methoxy-2,3-dihydropyran-6-yl]-1-[(2S,3S,5R)-5-methoxy-3-triethylsilyloxyoxolan-2-yl]-2-methylpentan-3-one?
The InChIKey is GLTPHULNTFGFTI-CERUGFSKSA-N. The full InChI is InChI=1S/C44H68O7Si2/c1-10-52(11-2,12-3)51-41-34-42(46-8)49-40(41)33-35(4)39(45)29-31-44(47-9)30-22-24-36(50-44)23-16-15-21-32-48-53(43(5,6)7,37-25-17-13-18-26-37)38-27-19-14-20-28-38/h13-14,16-20,22-23,25-28,30,35-36,40-42H,10-12,15,21,24,29,31-34H2,1-9H3/b23-16+/t35-,36+,40-,41-,42+,44+/m0/s1.
What are the key properties of (2S)-5-[(2S,6S)-2-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-1-enyl]-6-methoxy-2,3-dihydropyran-6-yl]-1-[(2S,3S,5R)-5-methoxy-3-triethylsilyloxyoxolan-2-yl]-2-methylpentan-3-one?
(2S)-5-[(2S,6S)-2-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-1-enyl]-6-methoxy-2,3-dihydropyran-6-yl]-1-[(2S,3S,5R)-5-methoxy-3-triethylsilyloxyoxolan-2-yl]-2-methylpentan-3-one has a molecular weight of 765.19 g/mol, XLogP of 9.11, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-[(2S,6S)-2-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-1-enyl]-6-methoxy-2,3-dihydropyran-6-yl]-1-[(2S,3S,5R)-5-methoxy-3-triethylsilyloxyoxolan-2-yl]-2-methylpentan-3-one is sourced from PubChem (CID 101118185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).