2-[[(E,2R,3R,5R)-7-bromo-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-9-[tert-butyl(diphenyl)silyl]oxynon-7-en-3-yl]oxymethoxy]ethyl-trimethylsilane

C43H77BrO5Si4 — CID 101395991

IUPAC2-[[(E,2R,3R,5R)-7-bromo-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-9-[tert-butyl(diphenyl)silyl]oxynon-7-en-3-yl]oxymethoxy]ethyl-trimethylsilane
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C[C@H](C/C(Br)=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C
InChIInChI=1S/C43H77BrO5Si4/c1-35(48-51(14,15)41(2,3)4)40(46-34-45-30-31-50(11,12)13)33-37(49-52(16,17)42(5,6)7)32-36(44)28-29-47-53(43(8,9)10,38-24-20-18-21-25-38)39-26-22-19-23-27-39/h18-28,35,37,40H,29-34H2,1-17H3/b36-28+/t35-,37+,40-/m1/s1
InChIKeyORHLDWUZESDBPU-UWZYVFQESA-N
MW866.33 g/mol
LogP12.12
Rot. Bonds20

About 2-[[(E,2R,3R,5R)-7-bromo-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-9-[tert-butyl(diphenyl)silyl]oxynon-7-en-3-yl]oxymethoxy]ethyl-trimethylsilane

2-[[(E,2R,3R,5R)-7-bromo-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-9-[tert-butyl(diphenyl)silyl]oxynon-7-en-3-yl]oxymethoxy]ethyl-trimethylsilane (PubChem CID 101395991) has the molecular formula C43H77BrO5Si4 and a molecular weight of 866.33 g/mol. Its IUPAC name is 2-[[(E,2R,3R,5R)-7-bromo-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-9-[tert-butyl(diphenyl)silyl]oxynon-7-en-3-yl]oxymethoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[(E,2R,3R,5R)-7-bromo-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-9-[tert-butyl(diphenyl)silyl]oxynon-7-en-3-yl]oxymethoxy]ethyl-trimethylsilane
PubChem CID101395991
Molecular FormulaC43H77BrO5Si4
Molecular Weight866.33 g/mol
Exact Mass864.40
IUPAC Name2-[[(E,2R,3R,5R)-7-bromo-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-9-[tert-butyl(diphenyl)silyl]oxynon-7-en-3-yl]oxymethoxy]ethyl-trimethylsilane
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C[C@H](C/C(Br)=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C
InChIInChI=1S/C43H77BrO5Si4/c1-35(48-51(14,15)41(2,3)4)40(46-34-45-30-31-50(11,12)13)33-37(49-52(16,17)42(5,6)7)32-36(44)28-29-47-53(43(8,9)10,38-24-20-18-21-25-38)39-26-22-19-23-27-39/h18-28,35,37,40H,29-34H2,1-17H3/b36-28+/t35-,37+,40-/m1/s1
InChIKeyORHLDWUZESDBPU-UWZYVFQESA-N
XLogP12.12
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.33
LogP ≤ 512.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

Analyze 2-[[(E,2R,3R,5R)-7-bromo-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-9-[tert-butyl(diphenyl)silyl]oxynon-7-en-3-yl]oxymethoxy]ethyl-trimethylsilane with MolForge

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Related Compounds

2-[[(2R,3R,5S,7E)-11-(1,3-benzothiazol-2-ylsulfanyl)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-10,10-dimethyl-9-triethylsilyloxy-7-[2-tri(propan-2-yl)silyloxyethylidene]undecan-3-yl]oxymethoxy]ethyl-trimethylsilane
CID 139249840
(E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxyhept-4-en-3-ol
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(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]propan-1-ol
CID 122220290
tert-butyl-[(E,5R,7R,8R)-5-[(3,4-dimethoxyphenyl)methoxy]-3-iodo-8-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]non-2-enoxy]-diphenylsilane
CID 11147284
4-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxyhexanal
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[(4S,5S)-7-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyoct-7-enoxy]-tert-butyl-diphenylsilane
CID 71492902
(2E)-1-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol
CID 25068244
(2S,3R,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methoxyethoxymethoxy)hept-6-en-2-ol
CID 11799151
tert-butyl-diphenyl-[(1R,3E,6Z,8R)-1-(3-phenyloxiran-2-yl)-8-(2-trimethylsilylethoxymethoxy)nona-3,6-dienoxy]silane
CID 66560084
4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol
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CID 67767772

Frequently Asked Questions

What is the IUPAC name of 2-[[(E,2R,3R,5R)-7-bromo-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-9-[tert-butyl(diphenyl)silyl]oxynon-7-en-3-yl]oxymethoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[(E,2R,3R,5R)-7-bromo-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-9-[tert-butyl(diphenyl)silyl]oxynon-7-en-3-yl]oxymethoxy]ethyl-trimethylsilane (CID 101395991) is 2-[[(E,2R,3R,5R)-7-bromo-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-9-[tert-butyl(diphenyl)silyl]oxynon-7-en-3-yl]oxymethoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[(E,2R,3R,5R)-7-bromo-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-9-[tert-butyl(diphenyl)silyl]oxynon-7-en-3-yl]oxymethoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[(E,2R,3R,5R)-7-bromo-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-9-[tert-butyl(diphenyl)silyl]oxynon-7-en-3-yl]oxymethoxy]ethyl-trimethylsilane is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C[C@H](C/C(Br)=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C.
What is the InChIKey of 2-[[(E,2R,3R,5R)-7-bromo-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-9-[tert-butyl(diphenyl)silyl]oxynon-7-en-3-yl]oxymethoxy]ethyl-trimethylsilane?
The InChIKey is ORHLDWUZESDBPU-UWZYVFQESA-N. The full InChI is InChI=1S/C43H77BrO5Si4/c1-35(48-51(14,15)41(2,3)4)40(46-34-45-30-31-50(11,12)13)33-37(49-52(16,17)42(5,6)7)32-36(44)28-29-47-53(43(8,9)10,38-24-20-18-21-25-38)39-26-22-19-23-27-39/h18-28,35,37,40H,29-34H2,1-17H3/b36-28+/t35-,37+,40-/m1/s1.
What are the key properties of 2-[[(E,2R,3R,5R)-7-bromo-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-9-[tert-butyl(diphenyl)silyl]oxynon-7-en-3-yl]oxymethoxy]ethyl-trimethylsilane?
2-[[(E,2R,3R,5R)-7-bromo-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-9-[tert-butyl(diphenyl)silyl]oxynon-7-en-3-yl]oxymethoxy]ethyl-trimethylsilane has a molecular weight of 866.33 g/mol, XLogP of 12.12, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E,2R,3R,5R)-7-bromo-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-9-[tert-butyl(diphenyl)silyl]oxynon-7-en-3-yl]oxymethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 101395991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).