[(4S)-4-[(E)-3-[(E)-but-2-enoxy]prop-1-enyl]octoxy]-tert-butyl-dimethylsilane

C21H42O2Si — CID 10784356

IUPAC[(4S)-4-[(E)-3-[(E)-but-2-enoxy]prop-1-enyl]octoxy]-tert-butyl-dimethylsilane
SMILESC/C=C/COC/C=C/[C@@H](CCCC)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O2Si/c1-8-10-14-20(15-12-18-22-17-11-9-2)16-13-19-23-24(6,7)21(3,4)5/h9,11-12,15,20H,8,10,13-14,16-19H2,1-7H3/b11-9+,15-12+/t20-/m1/s1
InChIKeyRRAOXHMGSCIRHE-APQLGLMVSA-N
MW354.65 g/mol
LogP6.74
Rot. Bonds13

About [(4S)-4-[(E)-3-[(E)-but-2-enoxy]prop-1-enyl]octoxy]-tert-butyl-dimethylsilane

[(4S)-4-[(E)-3-[(E)-but-2-enoxy]prop-1-enyl]octoxy]-tert-butyl-dimethylsilane (PubChem CID 10784356) has the molecular formula C21H42O2Si and a molecular weight of 354.65 g/mol. Its IUPAC name is [(4S)-4-[(E)-3-[(E)-but-2-enoxy]prop-1-enyl]octoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4S)-4-[(E)-3-[(E)-but-2-enoxy]prop-1-enyl]octoxy]-tert-butyl-dimethylsilane
PubChem CID10784356
Molecular FormulaC21H42O2Si
Molecular Weight354.65 g/mol
Exact Mass354.30
IUPAC Name[(4S)-4-[(E)-3-[(E)-but-2-enoxy]prop-1-enyl]octoxy]-tert-butyl-dimethylsilane
SMILESC/C=C/COC/C=C/[C@@H](CCCC)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O2Si/c1-8-10-14-20(15-12-18-22-17-11-9-2)16-13-19-23-24(6,7)21(3,4)5/h9,11-12,15,20H,8,10,13-14,16-19H2,1-7H3/b11-9+,15-12+/t20-/m1/s1
InChIKeyRRAOXHMGSCIRHE-APQLGLMVSA-N
XLogP6.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.65
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Silane, dimethyl(undec-2-enyloxy)isohexyloxy-
CID 91698243
Silane, dimethyl(dodec-2-enyloxy)isohexyloxy-
CID 91698244
[(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy-tri(propan-2-yl)silane
CID 11370334
[(2S,5S)-5-cyclohexyl-2-ethenyl-2,5-dihydrofuran-3-yl]-trimethylsilane
CID 11736827
[2-(3,7-Dimethyloct-6-enoxymethyl)cyclopropen-1-yl]-trimethylsilane
CID 101516450
[(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane
CID 102515912
tert-butyl-[(E)-3-cyclohexyl-2-[(2S,3S,6R)-3-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 134900451
[5-(2,6-Dimethylhept-5-enyl)-2,5-dihydrofuran-2-yl]methyl-trimethylsilane
CID 134996885
(4S,7R)-4-cyclohexyl-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine
CID 134999408
(4S,7S)-4-cyclohexyl-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine
CID 135000864
tert-butyl-[(E,3S,8R)-9-[(2S,3S)-3-ethenyloxiran-2-yl]-3,4,8-trimethyl-6-methylidenenon-4-enoxy]-dimethylsilane
CID 135011533
tert-butyl-dimethyl-[(E)-3-(1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl)but-2-enoxy]silane
CID 135074719

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-[(E)-3-[(E)-but-2-enoxy]prop-1-enyl]octoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(4S)-4-[(E)-3-[(E)-but-2-enoxy]prop-1-enyl]octoxy]-tert-butyl-dimethylsilane (CID 10784356) is [(4S)-4-[(E)-3-[(E)-but-2-enoxy]prop-1-enyl]octoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4S)-4-[(E)-3-[(E)-but-2-enoxy]prop-1-enyl]octoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(4S)-4-[(E)-3-[(E)-but-2-enoxy]prop-1-enyl]octoxy]-tert-butyl-dimethylsilane is C/C=C/COC/C=C/[C@@H](CCCC)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(4S)-4-[(E)-3-[(E)-but-2-enoxy]prop-1-enyl]octoxy]-tert-butyl-dimethylsilane?
The InChIKey is RRAOXHMGSCIRHE-APQLGLMVSA-N. The full InChI is InChI=1S/C21H42O2Si/c1-8-10-14-20(15-12-18-22-17-11-9-2)16-13-19-23-24(6,7)21(3,4)5/h9,11-12,15,20H,8,10,13-14,16-19H2,1-7H3/b11-9+,15-12+/t20-/m1/s1.
What are the key properties of [(4S)-4-[(E)-3-[(E)-but-2-enoxy]prop-1-enyl]octoxy]-tert-butyl-dimethylsilane?
[(4S)-4-[(E)-3-[(E)-but-2-enoxy]prop-1-enyl]octoxy]-tert-butyl-dimethylsilane has a molecular weight of 354.65 g/mol, XLogP of 6.74, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-[(E)-3-[(E)-but-2-enoxy]prop-1-enyl]octoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 10784356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).