tert-butyl-[(5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-10-[(2R,3R)-3-methyl-1-phenylmethoxyhex-5-en-2-yl]oxyundec-10-enoxy]-diphenylsilane

C49H76O6Si2 — CID 24938592

IUPACtert-butyl-[(5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-10-[(2R,3R)-3-methyl-1-phenylmethoxyhex-5-en-2-yl]oxyundec-10-enoxy]-diphenylsilane
SMILESC=CC[C@@H](C)[C@H](COCc1ccccc1)OC(=C)CC[C@@H](C[C@H](CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C49H76O6Si2/c1-13-25-40(2)47(38-51-37-42-26-17-14-18-27-42)54-41(3)33-34-44(55-56(11,12)48(4,5)6)36-43(52-39-50-10)28-23-24-35-53-57(49(7,8)9,45-29-19-15-20-30-45)46-31-21-16-22-32-46/h13-22,26-27,29-32,40,43-44,47H,1,3,23-25,28,33-39H2,2,4-12H3/t40-,43+,44+,47+/m1/s1
InChIKeyCPBVNNDLNJSIBQ-REUYMKSUSA-N
MW817.31 g/mol
LogP11.61
Rot. Bonds27

About tert-butyl-[(5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-10-[(2R,3R)-3-methyl-1-phenylmethoxyhex-5-en-2-yl]oxyundec-10-enoxy]-diphenylsilane

tert-butyl-[(5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-10-[(2R,3R)-3-methyl-1-phenylmethoxyhex-5-en-2-yl]oxyundec-10-enoxy]-diphenylsilane (PubChem CID 24938592) has the molecular formula C49H76O6Si2 and a molecular weight of 817.31 g/mol. Its IUPAC name is tert-butyl-[(5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-10-[(2R,3R)-3-methyl-1-phenylmethoxyhex-5-en-2-yl]oxyundec-10-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-10-[(2R,3R)-3-methyl-1-phenylmethoxyhex-5-en-2-yl]oxyundec-10-enoxy]-diphenylsilane
PubChem CID24938592
Molecular FormulaC49H76O6Si2
Molecular Weight817.31 g/mol
Exact Mass816.52
IUPAC Nametert-butyl-[(5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-10-[(2R,3R)-3-methyl-1-phenylmethoxyhex-5-en-2-yl]oxyundec-10-enoxy]-diphenylsilane
SMILESC=CC[C@@H](C)[C@H](COCc1ccccc1)OC(=C)CC[C@@H](C[C@H](CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C49H76O6Si2/c1-13-25-40(2)47(38-51-37-42-26-17-14-18-27-42)54-41(3)33-34-44(55-56(11,12)48(4,5)6)36-43(52-39-50-10)28-23-24-35-53-57(49(7,8)9,45-29-19-15-20-30-45)46-31-21-16-22-32-46/h13-22,26-27,29-32,40,43-44,47H,1,3,23-25,28,33-39H2,2,4-12H3/t40-,43+,44+,47+/m1/s1
InChIKeyCPBVNNDLNJSIBQ-REUYMKSUSA-N
XLogP11.61
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.31
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl-[(5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-10-[(2R,3R)-3-methyl-1-phenylmethoxyhex-5-en-2-yl]oxyundec-10-enoxy]-diphenylsilane with MolForge

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Related Compounds

tert-butyl-[(5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)non-8-enoxy]-diphenylsilane
CID 24938591
tert-butyl-dimethyl-[(2S,3S)-2-methyl-1-phenylmethoxyhex-5-en-3-yl]oxysilane
CID 10969702
[(5S,9R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-13-phenylmethoxytridec-6-ynoxy]-tert-butyl-diphenylsilane
CID 164671859
[(4S,5S)-7-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyoct-7-enoxy]-tert-butyl-diphenylsilane
CID 71492902
[(4R,6S,7R)-6-[tert-butyl(diphenyl)silyl]oxy-7-methyl-1-phenylmethoxydec-9-en-4-yl] 2-methoxy-6-prop-2-enylbenzoate
CID 101095816
(4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-6-methylheptan-1-ol
CID 71504117
1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane
CID 66710987
tert-butyl-[(2S)-14-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]tetradecoxy]-diphenylsilane
CID 101416747
(3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-10-[tert-butyl(diphenyl)silyl]oxy-1-diethoxyphosphoryl-6-[(4-methoxyphenyl)methoxy]-3-methyldecan-2-one
CID 11262939
(3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-8-phenylmethoxyoctanal
CID 11168008
tert-butyl-diphenyl-[(3R)-7-phenylmethoxyhept-1-en-3-yl]oxysilane
CID 57341570
(6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)heptan-1-ol
CID 11796895

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-10-[(2R,3R)-3-methyl-1-phenylmethoxyhex-5-en-2-yl]oxyundec-10-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-10-[(2R,3R)-3-methyl-1-phenylmethoxyhex-5-en-2-yl]oxyundec-10-enoxy]-diphenylsilane (CID 24938592) is tert-butyl-[(5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-10-[(2R,3R)-3-methyl-1-phenylmethoxyhex-5-en-2-yl]oxyundec-10-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-10-[(2R,3R)-3-methyl-1-phenylmethoxyhex-5-en-2-yl]oxyundec-10-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-10-[(2R,3R)-3-methyl-1-phenylmethoxyhex-5-en-2-yl]oxyundec-10-enoxy]-diphenylsilane is C=CC[C@@H](C)[C@H](COCc1ccccc1)OC(=C)CC[C@@H](C[C@H](CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-10-[(2R,3R)-3-methyl-1-phenylmethoxyhex-5-en-2-yl]oxyundec-10-enoxy]-diphenylsilane?
The InChIKey is CPBVNNDLNJSIBQ-REUYMKSUSA-N. The full InChI is InChI=1S/C49H76O6Si2/c1-13-25-40(2)47(38-51-37-42-26-17-14-18-27-42)54-41(3)33-34-44(55-56(11,12)48(4,5)6)36-43(52-39-50-10)28-23-24-35-53-57(49(7,8)9,45-29-19-15-20-30-45)46-31-21-16-22-32-46/h13-22,26-27,29-32,40,43-44,47H,1,3,23-25,28,33-39H2,2,4-12H3/t40-,43+,44+,47+/m1/s1.
What are the key properties of tert-butyl-[(5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-10-[(2R,3R)-3-methyl-1-phenylmethoxyhex-5-en-2-yl]oxyundec-10-enoxy]-diphenylsilane?
tert-butyl-[(5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-10-[(2R,3R)-3-methyl-1-phenylmethoxyhex-5-en-2-yl]oxyundec-10-enoxy]-diphenylsilane has a molecular weight of 817.31 g/mol, XLogP of 11.61, 27 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-10-[(2R,3R)-3-methyl-1-phenylmethoxyhex-5-en-2-yl]oxyundec-10-enoxy]-diphenylsilane is sourced from PubChem (CID 24938592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).