tert-butyl-[(Z)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane

C15H30O3Si — CID 10613235

IUPACtert-butyl-[(Z)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane
SMILESCC1(C)OC[C@H](/C=C\CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H30O3Si/c1-14(2,3)19(6,7)17-11-9-8-10-13-12-16-15(4,5)18-13/h8,10,13H,9,11-12H2,1-7H3/b10-8-/t13-/m0/s1
InChIKeySRTAFLHBBAVEQD-KJJQSCHISA-N
MW286.49 g/mol
LogP4.11
Rot. Bonds5

About tert-butyl-[(Z)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane

tert-butyl-[(Z)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane (PubChem CID 10613235) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is tert-butyl-[(Z)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane
PubChem CID10613235
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Nametert-butyl-[(Z)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane
SMILESCC1(C)OC[C@H](/C=C\CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H30O3Si/c1-14(2,3)19(6,7)17-11-9-8-10-13-12-16-15(4,5)18-13/h8,10,13H,9,11-12H2,1-7H3/b10-8-/t13-/m0/s1
InChIKeySRTAFLHBBAVEQD-KJJQSCHISA-N
XLogP4.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

tert-butyl-[[(2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 9859945
tert-butyl-[(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane
CID 10755509
tert-butyl-dimethyl-[(2,3,5-trimethyl-2H-furan-5-yl)methoxy]silane
CID 11253878
tert-butyl-[[(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-dimethylsilane
CID 11425711
tert-butyl-[[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 13846571
[(Z)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethylbut-1-en-2-yl]oxy-trimethylsilane
CID 15247900
tert-butyl-[[(2S,5S)-3,5-dimethyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 21630666
tert-butyl-[[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 49793489
tert-butyl-[(6-methoxy-3,6-dihydro-2H-pyran-2-yl)methoxy]-dimethylsilane
CID 85054611
(S,E)-tert-butyl((3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylallyl)oxy)dimethylsilane
CID 92136076
tert-butyl-[[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 101768460
[(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 102526053

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane (CID 10613235) is tert-butyl-[(Z)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane is CC1(C)OC[C@H](/C=C\CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[(Z)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane?
The InChIKey is SRTAFLHBBAVEQD-KJJQSCHISA-N. The full InChI is InChI=1S/C15H30O3Si/c1-14(2,3)19(6,7)17-11-9-8-10-13-12-16-15(4,5)18-13/h8,10,13H,9,11-12H2,1-7H3/b10-8-/t13-/m0/s1.
What are the key properties of tert-butyl-[(Z)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane?
tert-butyl-[(Z)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane has a molecular weight of 286.49 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane is sourced from PubChem (CID 10613235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).