tert-butyl-[(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane

C15H28O3Si — CID 10755509

IUPACtert-butyl-[(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane
SMILESC=C(/C=C/[C@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-12(18-19(7,8)14(2,3)4)9-10-13-11-16-15(5,6)17-13/h9-10,13H,1,11H2,2-8H3/b10-9+/t13-/m0/s1
InChIKeyMPSYGHIYCSILJC-LXKVQUBZSA-N
MW284.47 g/mol
LogP4.23
Rot. Bonds4

About tert-butyl-[(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane

tert-butyl-[(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane (PubChem CID 10755509) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is tert-butyl-[(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane
PubChem CID10755509
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Nametert-butyl-[(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane
SMILESC=C(/C=C/[C@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-12(18-19(7,8)14(2,3)4)9-10-13-11-16-15(5,6)17-13/h9-10,13H,1,11H2,2-8H3/b10-9+/t13-/m0/s1
InChIKeyMPSYGHIYCSILJC-LXKVQUBZSA-N
XLogP4.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(Z)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethylbut-1-en-2-yl]oxy-trimethylsilane
CID 15247900
(S,E)-tert-butyl((3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylallyl)oxy)dimethylsilane
CID 92136076
3-(1,3-dioxolan-2-yl)-5-[(3E)-hexa-3,5-dienyl]-2,2-dimethyl-5H-oxasilole
CID 102031096
((3aR,7aS)-2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]dioxol-5-yl)trimethylsilane (racemic)
CID 125462006
tert-butyl-[(3E,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(methoxymethoxy)penta-1,3-dien-2-yl]oxy-dimethylsilane
CID 132472691
CID 9991129
CID 9991129
[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]methyl-trimethylsilane
CID 10014459
CID 10036038
CID 10036038
[(3aS,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-ethoxy-dimethylsilane
CID 10083667
[(3aS,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-(chloromethyl)-dimethylsilane
CID 10106595
[(3aS,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-trimethylsilane
CID 10376352
[(3aS,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-dimethyl-propan-2-yloxysilane
CID 10378358

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane (CID 10755509) is tert-butyl-[(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane is C=C(/C=C/[C@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane?
The InChIKey is MPSYGHIYCSILJC-LXKVQUBZSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-12(18-19(7,8)14(2,3)4)9-10-13-11-16-15(5,6)17-13/h9-10,13H,1,11H2,2-8H3/b10-9+/t13-/m0/s1.
What are the key properties of tert-butyl-[(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane?
tert-butyl-[(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane has a molecular weight of 284.47 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 10755509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).