trimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-(4-methylphenyl)ethoxy]penta-1,3-dien-3-yl]oxysilane

C18H28O2Si — CID 44551606

IUPACtrimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-(4-methylphenyl)ethoxy]penta-1,3-dien-3-yl]oxysilane
SMILESC/C=C(O[Si](C)(C)C)/C(C)=C/O[C@H](C)c1ccc(C)cc1
InChIInChI=1S/C18H28O2Si/c1-8-18(20-21(5,6)7)15(3)13-19-16(4)17-11-9-14(2)10-12-17/h8-13,16H,1-7H3/b15-13+,18-8-/t16-/m1/s1
InChIKeyUXWJANMOJJRPEN-VNRFGGIDSA-N
MW304.51 g/mol
LogP5.73
Rot. Bonds6

About trimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-(4-methylphenyl)ethoxy]penta-1,3-dien-3-yl]oxysilane

trimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-(4-methylphenyl)ethoxy]penta-1,3-dien-3-yl]oxysilane (PubChem CID 44551606) has the molecular formula C18H28O2Si and a molecular weight of 304.51 g/mol. Its IUPAC name is trimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-(4-methylphenyl)ethoxy]penta-1,3-dien-3-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-(4-methylphenyl)ethoxy]penta-1,3-dien-3-yl]oxysilane
PubChem CID44551606
Molecular FormulaC18H28O2Si
Molecular Weight304.51 g/mol
Exact Mass304.19
IUPAC Nametrimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-(4-methylphenyl)ethoxy]penta-1,3-dien-3-yl]oxysilane
SMILESC/C=C(O[Si](C)(C)C)/C(C)=C/O[C@H](C)c1ccc(C)cc1
InChIInChI=1S/C18H28O2Si/c1-8-18(20-21(5,6)7)15(3)13-19-16(4)17-11-9-14(2)10-12-17/h8-13,16H,1-7H3/b15-13+,18-8-/t16-/m1/s1
InChIKeyUXWJANMOJJRPEN-VNRFGGIDSA-N
XLogP5.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.51
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-(4-methylphenyl)ethoxy]penta-1,3-dien-3-yl]oxysilane?
The IUPAC name of trimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-(4-methylphenyl)ethoxy]penta-1,3-dien-3-yl]oxysilane (CID 44551606) is trimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-(4-methylphenyl)ethoxy]penta-1,3-dien-3-yl]oxysilane.
What is the SMILES notation for trimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-(4-methylphenyl)ethoxy]penta-1,3-dien-3-yl]oxysilane?
The canonical SMILES for trimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-(4-methylphenyl)ethoxy]penta-1,3-dien-3-yl]oxysilane is C/C=C(O[Si](C)(C)C)/C(C)=C/O[C@H](C)c1ccc(C)cc1.
What is the InChIKey of trimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-(4-methylphenyl)ethoxy]penta-1,3-dien-3-yl]oxysilane?
The InChIKey is UXWJANMOJJRPEN-VNRFGGIDSA-N. The full InChI is InChI=1S/C18H28O2Si/c1-8-18(20-21(5,6)7)15(3)13-19-16(4)17-11-9-14(2)10-12-17/h8-13,16H,1-7H3/b15-13+,18-8-/t16-/m1/s1.
What are the key properties of trimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-(4-methylphenyl)ethoxy]penta-1,3-dien-3-yl]oxysilane?
trimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-(4-methylphenyl)ethoxy]penta-1,3-dien-3-yl]oxysilane has a molecular weight of 304.51 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-(4-methylphenyl)ethoxy]penta-1,3-dien-3-yl]oxysilane is sourced from PubChem (CID 44551606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).