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

C21H42O5Si — CID 134842068

IUPACtert-butyl-[(2S)-5-[(4R,5S)-5-[(1R)-1-(methoxymethoxy)but-3-enyl]-2-methyl-1,3-dioxolan-4-yl]pentan-2-yl]oxy-dimethylsilane
SMILESC=CC[C@@H](OCOC)[C@@H]1OC(C)O[C@@H]1CCC[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O5Si/c1-10-12-18(23-15-22-7)20-19(24-17(3)25-20)14-11-13-16(2)26-27(8,9)21(4,5)6/h10,16-20H,1,11-15H2,2-9H3/t16-,17?,18+,19+,20-/m0/s1
InChIKeyTUDTVJAKBBISKN-MMWAWKIVSA-N
MW402.65 g/mol
LogP5.26
Rot. Bonds12

About 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

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 (PubChem CID 134842068) has the molecular formula C21H42O5Si and a molecular weight of 402.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-butyl-[(2S)-5-[(4R,5S)-5-[(1R)-1-(methoxymethoxy)but-3-enyl]-2-methyl-1,3-dioxolan-4-yl]pentan-2-yl]oxy-dimethylsilane
PubChem CID134842068
Molecular FormulaC21H42O5Si
Molecular Weight402.65 g/mol
Exact Mass402.28
IUPAC Nametert-butyl-[(2S)-5-[(4R,5S)-5-[(1R)-1-(methoxymethoxy)but-3-enyl]-2-methyl-1,3-dioxolan-4-yl]pentan-2-yl]oxy-dimethylsilane
SMILESC=CC[C@@H](OCOC)[C@@H]1OC(C)O[C@@H]1CCC[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O5Si/c1-10-12-18(23-15-22-7)20-19(24-17(3)25-20)14-11-13-16(2)26-27(8,9)21(4,5)6/h10,16-20H,1,11-15H2,2-9H3/t16-,17?,18+,19+,20-/m0/s1
InChIKeyTUDTVJAKBBISKN-MMWAWKIVSA-N
XLogP5.26
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.65
LogP ≤ 55.26
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

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
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-[(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
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-[(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
[(1R)-1-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-tert-butyl-dimethylsilane
CID 135014567
(((2S,4R,6S)-2-Allyl-6-((2S,4S)-2,4-bis(methoxymethoxy)pentyl)tetrahydro-2H-pyran-4-yl)oxy)(tert-butyl)dimethylsilane
CID 145864777
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC[C@@H](OCOC)[C@@H]1OC(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-[(4R,5S)-5-[(1R)-1-(methoxymethoxy)but-3-enyl]-2-methyl-1,3-dioxolan-4-yl]pentan-2-yl]oxy-dimethylsilane?
The InChIKey is TUDTVJAKBBISKN-MMWAWKIVSA-N. The full InChI is InChI=1S/C21H42O5Si/c1-10-12-18(23-15-22-7)20-19(24-17(3)25-20)14-11-13-16(2)26-27(8,9)21(4,5)6/h10,16-20H,1,11-15H2,2-9H3/t16-,17?,18+,19+,20-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 402.65 g/mol, XLogP of 5.26, 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-[(4R,5S)-5-[(1R)-1-(methoxymethoxy)but-3-enyl]-2-methyl-1,3-dioxolan-4-yl]pentan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 134842068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).