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

C12H22O3Si — CID 10752703

IUPAC[(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-trimethylsilane
SMILESC=C(/C=C/[C@H]1COC(C)(C)O1)O[Si](C)(C)C
InChIInChI=1S/C12H22O3Si/c1-10(15-16(4,5)6)7-8-11-9-13-12(2,3)14-11/h7-8,11H,1,9H2,2-6H3/b8-7+/t11-/m0/s1
InChIKeyARJHWCMUPRFRKP-AEZGRPFRSA-N
MW242.39 g/mol
LogP3.06
Rot. Bonds4

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

[(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-trimethylsilane (PubChem CID 10752703) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is [(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-trimethylsilane
PubChem CID10752703
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Name[(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-trimethylsilane
SMILESC=C(/C=C/[C@H]1COC(C)(C)O1)O[Si](C)(C)C
InChIInChI=1S/C12H22O3Si/c1-10(15-16(4,5)6)7-8-11-9-13-12(2,3)14-11/h7-8,11H,1,9H2,2-6H3/b8-7+/t11-/m0/s1
InChIKeyARJHWCMUPRFRKP-AEZGRPFRSA-N
XLogP3.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.06
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

tert-butyl-[(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane
CID 10755509
[(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
(4S)-4-[(1E)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane
CID 11298347
Ycvgbqwekamokc-sofgywhqsa-
CID 21579716
4-[(1Z)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane
CID 23250999
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

Frequently Asked Questions

What is the IUPAC name of [(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-trimethylsilane?
The IUPAC name of [(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-trimethylsilane (CID 10752703) is [(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-trimethylsilane is C=C(/C=C/[C@H]1COC(C)(C)O1)O[Si](C)(C)C.
What is the InChIKey of [(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-trimethylsilane?
The InChIKey is ARJHWCMUPRFRKP-AEZGRPFRSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-10(15-16(4,5)6)7-8-11-9-13-12(2,3)14-11/h7-8,11H,1,9H2,2-6H3/b8-7+/t11-/m0/s1.
What are the key properties of [(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-trimethylsilane?
[(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-trimethylsilane has a molecular weight of 242.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 10752703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).