[(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxydecan-5-yl] (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoyl]oxydecanoate

C57H108O10Si3 — CID 25178064

IUPAC[(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxydecan-5-yl] (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoyl]oxydecanoate
SMILESCCC/C=C\[C@H](C[C@H](CC(=O)O[C@H](CCCCC)C[C@H](CC(=O)O[C@H](CCCCC)C[C@H](CC(OC)OC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OCc1ccccc1
InChIInChI=1S/C57H108O10Si3/c1-21-24-28-35-46(62-44-45-33-31-27-32-34-45)38-49(65-68(15,16)55(4,5)6)41-52(58)63-47(36-29-25-22-2)39-50(66-69(17,18)56(7,8)9)42-53(59)64-48(37-30-26-23-3)40-51(43-54(60-13)61-14)67-70(19,20)57(10,11)12/h27-28,31-35,46-51,54H,21-26,29-30,36-44H2,1-20H3/b35-28-/t46-,47-,48-,49-,50-,51-/m1/s1
InChIKeySZJHRDBCMLLBKX-UIUVSUSBSA-N
MW1037.74 g/mol
LogP16.04
Rot. Bonds36

About [(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxydecan-5-yl] (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoyl]oxydecanoate

[(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxydecan-5-yl] (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoyl]oxydecanoate (PubChem CID 25178064) has the molecular formula C57H108O10Si3 and a molecular weight of 1037.74 g/mol. Its IUPAC name is [(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxydecan-5-yl] (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoyl]oxydecanoate.

Molecular Properties

Compound Name[(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxydecan-5-yl] (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoyl]oxydecanoate
PubChem CID25178064
Molecular FormulaC57H108O10Si3
Molecular Weight1037.74 g/mol
Exact Mass1036.73
IUPAC Name[(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxydecan-5-yl] (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoyl]oxydecanoate
SMILESCCC/C=C\[C@H](C[C@H](CC(=O)O[C@H](CCCCC)C[C@H](CC(=O)O[C@H](CCCCC)C[C@H](CC(OC)OC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OCc1ccccc1
InChIInChI=1S/C57H108O10Si3/c1-21-24-28-35-46(62-44-45-33-31-27-32-34-45)38-49(65-68(15,16)55(4,5)6)41-52(58)63-47(36-29-25-22-2)39-50(66-69(17,18)56(7,8)9)42-53(59)64-48(37-30-26-23-3)40-51(43-54(60-13)61-14)67-70(19,20)57(10,11)12/h27-28,31-35,46-51,54H,21-26,29-30,36-44H2,1-20H3/b35-28-/t46-,47-,48-,49-,50-,51-/m1/s1
InChIKeySZJHRDBCMLLBKX-UIUVSUSBSA-N
XLogP16.04
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds36
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001037.74
LogP ≤ 516.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'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 [(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxydecan-5-yl] (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoyl]oxydecanoate with MolForge

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Related Compounds

(Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoic acid
CID 25180974
[(3S,5R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-9-formyloxy-1-phenylmethoxytetradecan-5-yl] acetate
CID 23328324
[(3R,5S,7R,9R)-5,7,9-tris[[tert-butyl(dimethyl)silyl]oxy]hexadec-1-en-3-yl] benzoate
CID 44604460
benzyl (2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hexyl-5-phenylmethoxyhexadecanoate
CID 58361991
phenyl (3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyoct-7-enoate
CID 24997824
(3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial
CID 101138351
methyl (11Z,14Z)-3-[tert-butyl(dimethyl)silyl]oxyicosa-11,14-dienoate
CID 86678084
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate
CID 58160475
benzyl 6-[bis[2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]-2-hydroxyhexanoate
CID 140916959
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate
CID 11222352
benzyl (3S)-4-bromo-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 141383140
tert-butyl-dimethyl-(6-phenylmethoxytridec-1-en-4-ylperoxy)silane
CID 102465931

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxydecan-5-yl] (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoyl]oxydecanoate?
The IUPAC name of [(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxydecan-5-yl] (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoyl]oxydecanoate (CID 25178064) is [(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxydecan-5-yl] (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoyl]oxydecanoate.
What is the SMILES notation for [(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxydecan-5-yl] (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoyl]oxydecanoate?
The canonical SMILES for [(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxydecan-5-yl] (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoyl]oxydecanoate is CCC/C=C\[C@H](C[C@H](CC(=O)O[C@H](CCCCC)C[C@H](CC(=O)O[C@H](CCCCC)C[C@H](CC(OC)OC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OCc1ccccc1.
What is the InChIKey of [(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxydecan-5-yl] (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoyl]oxydecanoate?
The InChIKey is SZJHRDBCMLLBKX-UIUVSUSBSA-N. The full InChI is InChI=1S/C57H108O10Si3/c1-21-24-28-35-46(62-44-45-33-31-27-32-34-45)38-49(65-68(15,16)55(4,5)6)41-52(58)63-47(36-29-25-22-2)39-50(66-69(17,18)56(7,8)9)42-53(59)64-48(37-30-26-23-3)40-51(43-54(60-13)61-14)67-70(19,20)57(10,11)12/h27-28,31-35,46-51,54H,21-26,29-30,36-44H2,1-20H3/b35-28-/t46-,47-,48-,49-,50-,51-/m1/s1.
What are the key properties of [(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxydecan-5-yl] (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoyl]oxydecanoate?
[(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxydecan-5-yl] (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoyl]oxydecanoate has a molecular weight of 1037.74 g/mol, XLogP of 16.04, 36 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxydecan-5-yl] (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(Z,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxydec-6-enoyl]oxydecanoate is sourced from PubChem (CID 25178064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).