tert-butyl-[(1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]-dimethylsilane

C36H72O4Si2 — CID 11490535

IUPACtert-butyl-[(1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]-dimethylsilane
SMILESC=CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@H]([C@@H]2CC[C@@H]([C@@H](CCCCCCCCCC)O[Si](C)(C)C(C)(C)C)O2)O1
InChIInChI=1S/C36H72O4Si2/c1-13-15-17-18-19-20-21-22-24-34(40-42(11,12)36(6,7)8)32-28-26-30(38-32)29-25-27-31(37-29)33(23-16-14-2)39-41(9,10)35(3,4)5/h14,29-34H,2,13,15-28H2,1,3-12H3/t29-,30-,31+,32-,33+,34+/m0/s1
InChIKeyOTMDISXWHOUUFR-BAKHARCTSA-N
MW625.14 g/mol
LogP11.36
Rot. Bonds19

About tert-butyl-[(1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]-dimethylsilane

tert-butyl-[(1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]-dimethylsilane (PubChem CID 11490535) has the molecular formula C36H72O4Si2 and a molecular weight of 625.14 g/mol. Its IUPAC name is tert-butyl-[(1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]-dimethylsilane
PubChem CID11490535
Molecular FormulaC36H72O4Si2
Molecular Weight625.14 g/mol
Exact Mass624.50
IUPAC Nametert-butyl-[(1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]-dimethylsilane
SMILESC=CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@H]([C@@H]2CC[C@@H]([C@@H](CCCCCCCCCC)O[Si](C)(C)C(C)(C)C)O2)O1
InChIInChI=1S/C36H72O4Si2/c1-13-15-17-18-19-20-21-22-24-34(40-42(11,12)36(6,7)8)32-28-26-30(38-32)29-25-27-31(37-29)33(23-16-14-2)39-41(9,10)35(3,4)5/h14,29-34H,2,13,15-28H2,1,3-12H3/t29-,30-,31+,32-,33+,34+/m0/s1
InChIKeyOTMDISXWHOUUFR-BAKHARCTSA-N
XLogP11.36
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.14
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

(1R)-1-[(2R,5S)-5-[(2S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]but-3-en-1-ol
CID 11179481
[(2S,5R)-5-but-3-enyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 25138560
[(2R,5S)-5-but-3-enyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134862792
trimethyl-[2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)tridec-12-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane
CID 134901649
tert-butyl-[(1R)-1-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl]oxolan-2-yl]tridecoxy]-dimethylsilane
CID 138977972
[(2R,3S)-2-but-3-enyloxepan-3-yl]oxy-tert-butyl-dimethylsilane
CID 9971146
trimethyl-[2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)tridec-12-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane
CID 10723881
tert-butyl-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane
CID 10918474
[(2R,3S,4S,5S)-2-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 10949975
tert-butyl-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-pent-4-enyl-5-prop-2-enyloxolan-3-yl]oxy-dimethylsilane
CID 11048463
(1S)-1-[(2R,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridec-12-enyl]oxolan-2-yl]oxolan-2-yl]ethane-1,2-diol
CID 11272247
(1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]pent-4-en-1-ol
CID 11443621

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]-dimethylsilane (CID 11490535) is tert-butyl-[(1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]-dimethylsilane is C=CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@H]([C@@H]2CC[C@@H]([C@@H](CCCCCCCCCC)O[Si](C)(C)C(C)(C)C)O2)O1.
What is the InChIKey of tert-butyl-[(1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]-dimethylsilane?
The InChIKey is OTMDISXWHOUUFR-BAKHARCTSA-N. The full InChI is InChI=1S/C36H72O4Si2/c1-13-15-17-18-19-20-21-22-24-34(40-42(11,12)36(6,7)8)32-28-26-30(38-32)29-25-27-31(37-29)33(23-16-14-2)39-41(9,10)35(3,4)5/h14,29-34H,2,13,15-28H2,1,3-12H3/t29-,30-,31+,32-,33+,34+/m0/s1.
What are the key properties of tert-butyl-[(1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]-dimethylsilane?
tert-butyl-[(1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]-dimethylsilane has a molecular weight of 625.14 g/mol, XLogP of 11.36, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R)-1-[(2S,5S)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]-dimethylsilane is sourced from PubChem (CID 11490535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).