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

C22H44O5Si — CID 134841870

IUPACtert-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
SMILESC=CC[C@@H](OCOC)[C@@H]1OC(C)(C)O[C@H]1CCC[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O5Si/c1-11-13-18(24-16-23-8)20-19(25-22(6,7)26-20)15-12-14-17(2)27-28(9,10)21(3,4)5/h11,17-20H,1,12-16H2,2-10H3/t17-,18+,19-,20-/m0/s1
InChIKeyGDIOZVPFXMOLBW-YRPNKDGESA-N
MW416.68 g/mol
LogP5.65
Rot. Bonds12

About 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

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 (PubChem CID 134841870) has the molecular formula C22H44O5Si and a molecular weight of 416.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID134841870
Molecular FormulaC22H44O5Si
Molecular Weight416.68 g/mol
Exact Mass416.30
IUPAC Nametert-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
SMILESC=CC[C@@H](OCOC)[C@@H]1OC(C)(C)O[C@H]1CCC[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O5Si/c1-11-13-18(24-16-23-8)20-19(25-22(6,7)26-20)15-12-14-17(2)27-28(9,10)21(3,4)5/h11,17-20H,1,12-16H2,2-10H3/t17-,18+,19-,20-/m0/s1
InChIKeyGDIOZVPFXMOLBW-YRPNKDGESA-N
XLogP5.65
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.68
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

[(2S)-4-[2-[(2R)-hex-5-en-2-yl]-1,3-dioxolan-2-yl]-2-methylbutoxy]-tri(propan-2-yl)silane
CID 11304093
2-[6-Allyl-3-(2-methoxyethoxymethoxy)tetrahydropyran-2-yl]ethoxy]-tert-butyldimethylsilane
CID 46894694
(4R,6S,8S)-6-(tert-Butyldimethylsilyloxy)-4,8-di(methoxymethoxy)-1-nonene
CID 56946984
tert-butyl-[(4S,6S)-6-(methoxymethoxy)undec-1-en-4-yl]oxy-dimethylsilane
CID 57326345
1-[(4S,5S)-5-[(4S)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 134841869
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
1-[(4S,5R)-5-[(4S)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 134841998
tert-butyl-[(2S)-5-[(4R,5S)-5-[(1R)-1-(methoxymethoxy)but-3-enyl]-2-methyl-1,3-dioxolan-4-yl]pentan-2-yl]oxy-dimethylsilane
CID 134842068
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
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
[(3aR,4R,6R,6aS)-2,2-dimethyl-6-(2-methylprop-2-enyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane
CID 134931288

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC[C@@H](OCOC)[C@@H]1OC(C)(C)O[C@H]1CCC[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 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?
The InChIKey is GDIOZVPFXMOLBW-YRPNKDGESA-N. The full InChI is InChI=1S/C22H44O5Si/c1-11-13-18(24-16-23-8)20-19(25-22(6,7)26-20)15-12-14-17(2)27-28(9,10)21(3,4)5/h11,17-20H,1,12-16H2,2-10H3/t17-,18+,19-,20-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 416.68 g/mol, XLogP of 5.65, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134841870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).