tert-butyl-[(E,1S)-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoxy]-dimethylsilane

C21H40O5Si — CID 11384037

IUPACtert-butyl-[(E,1S)-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoxy]-dimethylsilane
SMILESCC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C21H40O5Si/c1-11-12-13-15(26-27(9,10)19(2,3)4)17-18(25-21(7,8)24-17)16-14-22-20(5,6)23-16/h12-13,15-18H,11,14H2,1-10H3/b13-12+/t15-,16+,17+,18+/m0/s1
InChIKeyWBOBDCGGCOUYMB-GUUFGMMOSA-N
MW400.63 g/mol
LogP5.01
Rot. Bonds6

About tert-butyl-[(E,1S)-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoxy]-dimethylsilane

tert-butyl-[(E,1S)-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoxy]-dimethylsilane (PubChem CID 11384037) has the molecular formula C21H40O5Si and a molecular weight of 400.63 g/mol. Its IUPAC name is tert-butyl-[(E,1S)-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,1S)-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoxy]-dimethylsilane
PubChem CID11384037
Molecular FormulaC21H40O5Si
Molecular Weight400.63 g/mol
Exact Mass400.26
IUPAC Nametert-butyl-[(E,1S)-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoxy]-dimethylsilane
SMILESCC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C21H40O5Si/c1-11-12-13-15(26-27(9,10)19(2,3)4)17-18(25-21(7,8)24-17)16-14-22-20(5,6)23-16/h12-13,15-18H,11,14H2,1-10H3/b13-12+/t15-,16+,17+,18+/m0/s1
InChIKeyWBOBDCGGCOUYMB-GUUFGMMOSA-N
XLogP5.01
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.63
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(3'aR,5R,6'R,6'aR)-4-ethenyl-2',2'-dimethylspiro[2H-furan-5,4'-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole]-6'-yl]methoxy-tert-butyl-dimethylsilane
CID 46928637
((1s,4s,5r)-5-((s)-1,4-Dioxaspiro[4.5]decan-2-yl)cyclohex-2-ene-1,4-diyl)bis(oxy)bis(t-butyl-dimethylsilane)
CID 129713018
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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
(E)-3-[(2S,3S)-3-[(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-1,4-dioxaspiro[4.5]decan-2-yl]prop-2-en-1-ol
CID 178184627
tert-butyl-[(Z,1S)-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane
CID 10251246
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
tert-butyl-[(Z,1R)-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]non-3-enoxy]-dimethylsilane
CID 10983342
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CID 11002735
2-[(4S,5S)-5-[(Z,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 58304758
2-[(4S,5S)-5-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 58304780
tert-butyl-[(Z)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-enoxy]-dimethylsilane
CID 58304851

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,1S)-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,1S)-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoxy]-dimethylsilane (CID 11384037) is tert-butyl-[(E,1S)-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,1S)-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,1S)-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoxy]-dimethylsilane is CC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1.
What is the InChIKey of tert-butyl-[(E,1S)-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoxy]-dimethylsilane?
The InChIKey is WBOBDCGGCOUYMB-GUUFGMMOSA-N. The full InChI is InChI=1S/C21H40O5Si/c1-11-12-13-15(26-27(9,10)19(2,3)4)17-18(25-21(7,8)24-17)16-14-22-20(5,6)23-16/h12-13,15-18H,11,14H2,1-10H3/b13-12+/t15-,16+,17+,18+/m0/s1.
What are the key properties of tert-butyl-[(E,1S)-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoxy]-dimethylsilane?
tert-butyl-[(E,1S)-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoxy]-dimethylsilane has a molecular weight of 400.63 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,1S)-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoxy]-dimethylsilane is sourced from PubChem (CID 11384037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).