[(4S,5S)-4-but-3-enyl-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane

C18H34O3Si — CID 24861887

IUPAC[(4S,5S)-4-but-3-enyl-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=CCC[C@@]1(CO[Si](C)(C)C(C)(C)C)OC(C)(C)O[C@H]1C=C
InChIInChI=1S/C18H34O3Si/c1-10-12-13-18(14-19-22(8,9)16(3,4)5)15(11-2)20-17(6,7)21-18/h10-11,15H,1-2,12-14H2,3-9H3/t15-,18-/m0/s1
InChIKeyPIUSJGLHFLQXGZ-YJBOKZPZSA-N
MW326.55 g/mol
LogP5.05
Rot. Bonds7

About [(4S,5S)-4-but-3-enyl-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane

[(4S,5S)-4-but-3-enyl-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 24861887) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is [(4S,5S)-4-but-3-enyl-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4S,5S)-4-but-3-enyl-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID24861887
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name[(4S,5S)-4-but-3-enyl-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=CCC[C@@]1(CO[Si](C)(C)C(C)(C)C)OC(C)(C)O[C@H]1C=C
InChIInChI=1S/C18H34O3Si/c1-10-12-13-18(14-19-22(8,9)16(3,4)5)15(11-2)20-17(6,7)21-18/h10-11,15H,1-2,12-14H2,3-9H3/t15-,18-/m0/s1
InChIKeyPIUSJGLHFLQXGZ-YJBOKZPZSA-N
XLogP5.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.55
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane
CID 10990553
tert-butyl-[[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 13846571
tert-butyl-dimethyl-[(2S,3R)-3-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pent-4-en-2-yl]oxysilane
CID 44220841
tert-butyl-[[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 49793489
[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]-triethylsilane
CID 134851327
1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol
CID 135024857
tert-butyl-dimethyl-[[(5R,7R)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane
CID 135040498
tert-butyl-[[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 11043922
tert-butyl-[[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 90075137
1-[(4R,5R)-5-but-1-en-2-yl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy-tert-butyl-dimethylsilane
CID 161509453
tert-butyl-[[(4R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 174096809
tert-butyl-[(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-yl]oxy-dimethylsilane
CID 10357472

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-4-but-3-enyl-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(4S,5S)-4-but-3-enyl-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane (CID 24861887) is [(4S,5S)-4-but-3-enyl-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4S,5S)-4-but-3-enyl-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4S,5S)-4-but-3-enyl-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane is C=CCC[C@@]1(CO[Si](C)(C)C(C)(C)C)OC(C)(C)O[C@H]1C=C.
What is the InChIKey of [(4S,5S)-4-but-3-enyl-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is PIUSJGLHFLQXGZ-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-10-12-13-18(14-19-22(8,9)16(3,4)5)15(11-2)20-17(6,7)21-18/h10-11,15H,1-2,12-14H2,3-9H3/t15-,18-/m0/s1.
What are the key properties of [(4S,5S)-4-but-3-enyl-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane?
[(4S,5S)-4-but-3-enyl-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 326.55 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-4-but-3-enyl-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 24861887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).