tert-butyl-[(2Z,4E)-1-[4-(methoxymethoxy)phenyl]hexa-2,4-dien-3-yl]oxy-dimethylsilane

C20H32O3Si — CID 134885210

IUPACtert-butyl-[(2Z,4E)-1-[4-(methoxymethoxy)phenyl]hexa-2,4-dien-3-yl]oxy-dimethylsilane
SMILESC/C=C/C(=C/Cc1ccc(OCOC)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H32O3Si/c1-8-9-19(23-24(6,7)20(2,3)4)15-12-17-10-13-18(14-11-17)22-16-21-5/h8-11,13-15H,12,16H2,1-7H3/b9-8+,19-15-
InChIKeyBAYOMEOFGMDAAX-BCNQBGPJSA-N
MW348.56 g/mol
LogP5.69
Rot. Bonds8

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

tert-butyl-[(2Z,4E)-1-[4-(methoxymethoxy)phenyl]hexa-2,4-dien-3-yl]oxy-dimethylsilane (PubChem CID 134885210) has the molecular formula C20H32O3Si and a molecular weight of 348.56 g/mol. Its IUPAC name is tert-butyl-[(2Z,4E)-1-[4-(methoxymethoxy)phenyl]hexa-2,4-dien-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2Z,4E)-1-[4-(methoxymethoxy)phenyl]hexa-2,4-dien-3-yl]oxy-dimethylsilane
PubChem CID134885210
Molecular FormulaC20H32O3Si
Molecular Weight348.56 g/mol
Exact Mass348.21
IUPAC Nametert-butyl-[(2Z,4E)-1-[4-(methoxymethoxy)phenyl]hexa-2,4-dien-3-yl]oxy-dimethylsilane
SMILESC/C=C/C(=C/Cc1ccc(OCOC)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H32O3Si/c1-8-9-19(23-24(6,7)20(2,3)4)15-12-17-10-13-18(14-11-17)22-16-21-5/h8-11,13-15H,12,16H2,1-7H3/b9-8+,19-15-
InChIKeyBAYOMEOFGMDAAX-BCNQBGPJSA-N
XLogP5.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.56
LogP ≤ 55.69
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2Z,4E)-1-[4-(methoxymethoxy)phenyl]hexa-2,4-dien-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2Z,4E)-1-[4-(methoxymethoxy)phenyl]hexa-2,4-dien-3-yl]oxy-dimethylsilane (CID 134885210) is tert-butyl-[(2Z,4E)-1-[4-(methoxymethoxy)phenyl]hexa-2,4-dien-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2Z,4E)-1-[4-(methoxymethoxy)phenyl]hexa-2,4-dien-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2Z,4E)-1-[4-(methoxymethoxy)phenyl]hexa-2,4-dien-3-yl]oxy-dimethylsilane is C/C=C/C(=C/Cc1ccc(OCOC)cc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2Z,4E)-1-[4-(methoxymethoxy)phenyl]hexa-2,4-dien-3-yl]oxy-dimethylsilane?
The InChIKey is BAYOMEOFGMDAAX-BCNQBGPJSA-N. The full InChI is InChI=1S/C20H32O3Si/c1-8-9-19(23-24(6,7)20(2,3)4)15-12-17-10-13-18(14-11-17)22-16-21-5/h8-11,13-15H,12,16H2,1-7H3/b9-8+,19-15-.
What are the key properties of tert-butyl-[(2Z,4E)-1-[4-(methoxymethoxy)phenyl]hexa-2,4-dien-3-yl]oxy-dimethylsilane?
tert-butyl-[(2Z,4E)-1-[4-(methoxymethoxy)phenyl]hexa-2,4-dien-3-yl]oxy-dimethylsilane has a molecular weight of 348.56 g/mol, XLogP of 5.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2Z,4E)-1-[4-(methoxymethoxy)phenyl]hexa-2,4-dien-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 134885210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).