methyl (2Z)-2-[(2R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]oxan-4-ylidene]acetate

C48H78O9Si2 — CID 11479981

IUPACmethyl (2Z)-2-[(2R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]oxan-4-ylidene]acetate
SMILESCOC(=O)/C=C1\C[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H](C[C@]2(OC)O[C@H](C[C@H](CCOCc3ccccc3)O[Si](C)(C)C(C)(C)C)C[C@H](OCc3ccccc3)C2(C)C)C1
InChIInChI=1S/C48H78O9Si2/c1-45(2,3)58(11,12)54-35-42-28-38(29-44(49)50-9)27-41(55-42)32-48(51-10)47(7,8)43(53-34-37-23-19-16-20-24-37)31-40(56-48)30-39(57-59(13,14)46(4,5)6)25-26-52-33-36-21-17-15-18-22-36/h15-24,29,39-43H,25-28,30-35H2,1-14H3/b38-29-/t39-,40+,41-,42+,43-,48-/m0/s1
InChIKeyGJYDHXMAQPYEGE-YOBHNYQFSA-N
MW855.32 g/mol
LogP11.18
Rot. Bonds19

About methyl (2Z)-2-[(2R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]oxan-4-ylidene]acetate

methyl (2Z)-2-[(2R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]oxan-4-ylidene]acetate (PubChem CID 11479981) has the molecular formula C48H78O9Si2 and a molecular weight of 855.32 g/mol. Its IUPAC name is methyl (2Z)-2-[(2R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]oxan-4-ylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[(2R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]oxan-4-ylidene]acetate
PubChem CID11479981
Molecular FormulaC48H78O9Si2
Molecular Weight855.32 g/mol
Exact Mass854.52
IUPAC Namemethyl (2Z)-2-[(2R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]oxan-4-ylidene]acetate
SMILESCOC(=O)/C=C1\C[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H](C[C@]2(OC)O[C@H](C[C@H](CCOCc3ccccc3)O[Si](C)(C)C(C)(C)C)C[C@H](OCc3ccccc3)C2(C)C)C1
InChIInChI=1S/C48H78O9Si2/c1-45(2,3)58(11,12)54-35-42-28-38(29-44(49)50-9)27-41(55-42)32-48(51-10)47(7,8)43(53-34-37-23-19-16-20-24-37)31-40(56-48)30-39(57-59(13,14)46(4,5)6)25-26-52-33-36-21-17-15-18-22-36/h15-24,29,39-43H,25-28,30-35H2,1-14H3/b38-29-/t39-,40+,41-,42+,43-,48-/m0/s1
InChIKeyGJYDHXMAQPYEGE-YOBHNYQFSA-N
XLogP11.18
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.32
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (2Z)-2-[(2R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]oxan-4-ylidene]acetate with MolForge

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Launch Full Analysis

Related Compounds

2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2S,6R)-4,4-dimethoxy-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-6-methoxy-5,5-dimethyloxan-2-yl]butanoate
CID 11434437
prop-2-enyl (3R)-3-hydroxy-4-[(2R,4S,6S)-6-methoxy-6-[[(2S,4Z,6R)-6-[(4-methoxyphenyl)methoxymethyl]-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]methyl]-5,5-dimethyl-4-phenylmethoxyoxan-2-yl]butanoate
CID 53473783
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate
CID 11222352
(3R)-4-[(2S,4S,6R)-6-(benzenesulfonyl)-4-[(4-methoxyphenyl)methoxy]-5,5-dimethyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid
CID 10875774
(2S,4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[[(2S,4Z,6R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-[(4-methoxyphenyl)methoxymethyl]oxan-2-yl]methyl]-2-methoxy-3,3-dimethyloxan-4-ol
CID 11974176
methyl (E,4R)-4-[(3aR,4R,6R,7aR)-4-[(4S,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate
CID 15605791
methyl (E)-3-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxybutan-2-yl]oxyprop-2-enoate
CID 10894529
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphoryl-6-phenylmethoxyhexan-2-one
CID 71514831
[(4R,5R)-5-[(5S)-5,7-bis(phenylmethoxy)hept-2-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane
CID 134978275
methyl 2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidene-4-(3-phenylmethoxypropoxy)cyclohexylidene]acetate
CID 173270962
1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane
CID 66710987
methyl (E)-4-[(2R,3S,4aR,6S,8S,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-8-phenylmethoxy-6-(phenylmethoxymethyl)-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]but-2-enoate
CID 11966508

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[(2R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]oxan-4-ylidene]acetate?
The IUPAC name of methyl (2Z)-2-[(2R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]oxan-4-ylidene]acetate (CID 11479981) is methyl (2Z)-2-[(2R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]oxan-4-ylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-[(2R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]oxan-4-ylidene]acetate?
The canonical SMILES for methyl (2Z)-2-[(2R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]oxan-4-ylidene]acetate is COC(=O)/C=C1\C[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H](C[C@]2(OC)O[C@H](C[C@H](CCOCc3ccccc3)O[Si](C)(C)C(C)(C)C)C[C@H](OCc3ccccc3)C2(C)C)C1.
What is the InChIKey of methyl (2Z)-2-[(2R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]oxan-4-ylidene]acetate?
The InChIKey is GJYDHXMAQPYEGE-YOBHNYQFSA-N. The full InChI is InChI=1S/C48H78O9Si2/c1-45(2,3)58(11,12)54-35-42-28-38(29-44(49)50-9)27-41(55-42)32-48(51-10)47(7,8)43(53-34-37-23-19-16-20-24-37)31-40(56-48)30-39(57-59(13,14)46(4,5)6)25-26-52-33-36-21-17-15-18-22-36/h15-24,29,39-43H,25-28,30-35H2,1-14H3/b38-29-/t39-,40+,41-,42+,43-,48-/m0/s1.
What are the key properties of methyl (2Z)-2-[(2R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]oxan-4-ylidene]acetate?
methyl (2Z)-2-[(2R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]oxan-4-ylidene]acetate has a molecular weight of 855.32 g/mol, XLogP of 11.18, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[(2R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutyl]-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxan-2-yl]methyl]oxan-4-ylidene]acetate is sourced from PubChem (CID 11479981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).