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

C17H32O3Si — CID 11438377

IUPACtert-butyl-[(1E,3Z)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,3-dien-3-yl]oxy-dimethylsilane
SMILESCC/C=C(/C=C/[C@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O3Si/c1-9-10-14(20-21(7,8)16(2,3)4)11-12-15-13-18-17(5,6)19-15/h10-12,15H,9,13H2,1-8H3/b12-11+,14-10-/t15-/m0/s1
InChIKeyDMUVEMJLMAMSJI-FTBMHMGTSA-N
MW312.53 g/mol
LogP5.01
Rot. Bonds5

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

tert-butyl-[(1E,3Z)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,3-dien-3-yl]oxy-dimethylsilane (PubChem CID 11438377) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is tert-butyl-[(1E,3Z)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,3-dien-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1E,3Z)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,3-dien-3-yl]oxy-dimethylsilane
PubChem CID11438377
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Nametert-butyl-[(1E,3Z)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,3-dien-3-yl]oxy-dimethylsilane
SMILESCC/C=C(/C=C/[C@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O3Si/c1-9-10-14(20-21(7,8)16(2,3)4)11-12-15-13-18-17(5,6)19-15/h10-12,15H,9,13H2,1-8H3/b12-11+,14-10-/t15-/m0/s1
InChIKeyDMUVEMJLMAMSJI-FTBMHMGTSA-N
XLogP5.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.53
LogP ≤ 55.01
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
((3aR,7aS)-2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]dioxol-5-yl)trimethylsilane (racemic)
CID 125462006
tert-butyl-[(1Z,3Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylpenta-1,3-dien-2-yl]oxy-dimethylsilane
CID 134983707
[(E)-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] methyl carbonate
CID 135014723
tert-butyl-dimethyl-[(E,2S)-5-tributylstannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane
CID 10508301
tert-butyl-[(3E,5E)-7-(2-methoxyethoxymethoxy)-2,2-dimethylhepta-3,5-dienoxy]-dimethylsilane
CID 11078856
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
CID 10036038
CID 10036038
[(3aS,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-ethoxy-dimethylsilane
CID 10083667

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1E,3Z)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,3-dien-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1E,3Z)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,3-dien-3-yl]oxy-dimethylsilane (CID 11438377) is tert-butyl-[(1E,3Z)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,3-dien-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1E,3Z)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,3-dien-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1E,3Z)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,3-dien-3-yl]oxy-dimethylsilane is CC/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-[(1E,3Z)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,3-dien-3-yl]oxy-dimethylsilane?
The InChIKey is DMUVEMJLMAMSJI-FTBMHMGTSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-9-10-14(20-21(7,8)16(2,3)4)11-12-15-13-18-17(5,6)19-15/h10-12,15H,9,13H2,1-8H3/b12-11+,14-10-/t15-/m0/s1.
What are the key properties of tert-butyl-[(1E,3Z)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,3-dien-3-yl]oxy-dimethylsilane?
tert-butyl-[(1E,3Z)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,3-dien-3-yl]oxy-dimethylsilane has a molecular weight of 312.53 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1E,3Z)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,3-dien-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 11438377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).