[(E,8R,11R)-8,11-bis(methoxymethoxy)-11-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)pentadecyl]oxolan-2-yl]undec-9-enoxy]-tert-butyl-dimethylsilane

C42H84O8Si — CID 10985513

IUPAC[(E,8R,11R)-8,11-bis(methoxymethoxy)-11-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)pentadecyl]oxolan-2-yl]undec-9-enoxy]-tert-butyl-dimethylsilane
SMILESCCCCCCCCCCCCCC[C@@H](OCOC)[C@H]1CC[C@H]([C@@H](/C=C/[C@@H](CCCCCCCO[Si](C)(C)C(C)(C)C)OCOC)OCOC)O1
InChIInChI=1S/C42H84O8Si/c1-10-11-12-13-14-15-16-17-18-19-22-25-28-38(47-35-44-6)40-31-32-41(50-40)39(48-36-45-7)30-29-37(46-34-43-5)27-24-21-20-23-26-33-49-51(8,9)42(2,3)4/h29-30,37-41H,10-28,31-36H2,1-9H3/b30-29+/t37-,38-,39-,40-,41-/m1/s1
InChIKeyJALSEOCFPNAGMG-UPBFWNQVSA-N
MW745.21 g/mol
LogP11.51
Rot. Bonds35

About [(E,8R,11R)-8,11-bis(methoxymethoxy)-11-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)pentadecyl]oxolan-2-yl]undec-9-enoxy]-tert-butyl-dimethylsilane

[(E,8R,11R)-8,11-bis(methoxymethoxy)-11-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)pentadecyl]oxolan-2-yl]undec-9-enoxy]-tert-butyl-dimethylsilane (PubChem CID 10985513) has the molecular formula C42H84O8Si and a molecular weight of 745.21 g/mol. Its IUPAC name is [(E,8R,11R)-8,11-bis(methoxymethoxy)-11-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)pentadecyl]oxolan-2-yl]undec-9-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(E,8R,11R)-8,11-bis(methoxymethoxy)-11-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)pentadecyl]oxolan-2-yl]undec-9-enoxy]-tert-butyl-dimethylsilane
PubChem CID10985513
Molecular FormulaC42H84O8Si
Molecular Weight745.21 g/mol
Exact Mass744.59
IUPAC Name[(E,8R,11R)-8,11-bis(methoxymethoxy)-11-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)pentadecyl]oxolan-2-yl]undec-9-enoxy]-tert-butyl-dimethylsilane
SMILESCCCCCCCCCCCCCC[C@@H](OCOC)[C@H]1CC[C@H]([C@@H](/C=C/[C@@H](CCCCCCCO[Si](C)(C)C(C)(C)C)OCOC)OCOC)O1
InChIInChI=1S/C42H84O8Si/c1-10-11-12-13-14-15-16-17-18-19-22-25-28-38(47-35-44-6)40-31-32-41(50-40)39(48-36-45-7)30-29-37(46-34-43-5)27-24-21-20-23-26-33-49-51(8,9)42(2,3)4/h29-30,37-41H,10-28,31-36H2,1-9H3/b30-29+/t37-,38-,39-,40-,41-/m1/s1
InChIKeyJALSEOCFPNAGMG-UPBFWNQVSA-N
XLogP11.51
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds35
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.21
LogP ≤ 511.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

1-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]hex-5-en-3-yloxy-tert-butyl-dimethylsilane
CID 25111398
tert-butyl-[(2S)-5-[(4S,5S)-5-[(1R)-1-(methoxymethoxy)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl]oxy-dimethylsilane
CID 134841870
tert-butyl-[(2S)-5-[(4S,5S)-5-[(1S)-1-(methoxymethoxy)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl]oxy-dimethylsilane
CID 134841871
tert-butyl-[(2S)-5-[(5S)-5-[(1S)-1-(methoxymethoxy)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl]oxy-dimethylsilane
CID 134841955
tert-butyl-[(2S)-5-[(4R,5S)-5-[(1S)-1-(methoxymethoxy)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl]oxy-dimethylsilane
CID 134842437
[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(5S,6S)-5-(methoxymethoxy)-2,2-dimethyl-3-tridecyl-5,6-dihydrooxasilin-6-yl]methoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 134846021
[(2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,6-dihydro-2H-pyran-6-yl]oxy-tert-butyl-dimethylsilane
CID 134973116
tert-butyl-[(1S)-1-[(2S,5R)-5-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]ethoxy]-dimethylsilane
CID 164671267
tert-butyl-[[(2S,3S)-3-[(4R,5S)-5-[(Z)-8-(2-hexyl-1,3-dioxolan-2-yl)oct-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyloxiran-2-yl]methoxy]-dimethylsilane
CID 10793136
(1R,2E,5S,14S)-11-[tert-butyl(dimethyl)silyl]oxy-5,16,16-trimethyl-6,15,17-trioxabicyclo[12.3.0]heptadec-2-en-8-yn-7-one
CID 11212379
tert-butyl-[2-[(4S,5S)-5-[(Z,4R)-1-methoxy-4,5-dimethylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 58750137
tert-butyl-[2-[(4S,5S)-5-[(Z)-1-methoxy-5-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 58750406

Frequently Asked Questions

What is the IUPAC name of [(E,8R,11R)-8,11-bis(methoxymethoxy)-11-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)pentadecyl]oxolan-2-yl]undec-9-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(E,8R,11R)-8,11-bis(methoxymethoxy)-11-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)pentadecyl]oxolan-2-yl]undec-9-enoxy]-tert-butyl-dimethylsilane (CID 10985513) is [(E,8R,11R)-8,11-bis(methoxymethoxy)-11-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)pentadecyl]oxolan-2-yl]undec-9-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(E,8R,11R)-8,11-bis(methoxymethoxy)-11-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)pentadecyl]oxolan-2-yl]undec-9-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(E,8R,11R)-8,11-bis(methoxymethoxy)-11-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)pentadecyl]oxolan-2-yl]undec-9-enoxy]-tert-butyl-dimethylsilane is CCCCCCCCCCCCCC[C@@H](OCOC)[C@H]1CC[C@H]([C@@H](/C=C/[C@@H](CCCCCCCO[Si](C)(C)C(C)(C)C)OCOC)OCOC)O1.
What is the InChIKey of [(E,8R,11R)-8,11-bis(methoxymethoxy)-11-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)pentadecyl]oxolan-2-yl]undec-9-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is JALSEOCFPNAGMG-UPBFWNQVSA-N. The full InChI is InChI=1S/C42H84O8Si/c1-10-11-12-13-14-15-16-17-18-19-22-25-28-38(47-35-44-6)40-31-32-41(50-40)39(48-36-45-7)30-29-37(46-34-43-5)27-24-21-20-23-26-33-49-51(8,9)42(2,3)4/h29-30,37-41H,10-28,31-36H2,1-9H3/b30-29+/t37-,38-,39-,40-,41-/m1/s1.
What are the key properties of [(E,8R,11R)-8,11-bis(methoxymethoxy)-11-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)pentadecyl]oxolan-2-yl]undec-9-enoxy]-tert-butyl-dimethylsilane?
[(E,8R,11R)-8,11-bis(methoxymethoxy)-11-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)pentadecyl]oxolan-2-yl]undec-9-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 745.21 g/mol, XLogP of 11.51, 35 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,8R,11R)-8,11-bis(methoxymethoxy)-11-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)pentadecyl]oxolan-2-yl]undec-9-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 10985513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).