[2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propoxy]-trimethylsilane

C26H38O7Si — CID 6430955

IUPAC[2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propoxy]-trimethylsilane
SMILESC=CCc1cc(OC)c(OC(C)C(O[Si](C)(C)C)c2cc(OC)c(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C26H38O7Si/c1-11-12-18-13-20(27-3)26(21(14-18)28-4)32-17(2)24(33-34(8,9)10)19-15-22(29-5)25(31-7)23(16-19)30-6/h11,13-17,24H,1,12H2,2-10H3
InChIKeyJZSNTQITZDTUON-UHFFFAOYSA-N
MW490.67 g/mol
LogP5.82
Rot. Bonds13

About [2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propoxy]-trimethylsilane

[2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propoxy]-trimethylsilane (PubChem CID 6430955) has the molecular formula C26H38O7Si and a molecular weight of 490.67 g/mol. Its IUPAC name is [2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propoxy]-trimethylsilane.

Molecular Properties

Compound Name[2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propoxy]-trimethylsilane
PubChem CID6430955
Molecular FormulaC26H38O7Si
Molecular Weight490.67 g/mol
Exact Mass490.24
IUPAC Name[2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propoxy]-trimethylsilane
SMILESC=CCc1cc(OC)c(OC(C)C(O[Si](C)(C)C)c2cc(OC)c(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C26H38O7Si/c1-11-12-18-13-20(27-3)26(21(14-18)28-4)32-17(2)24(33-34(8,9)10)19-15-22(29-5)25(31-7)23(16-19)30-6/h11,13-17,24H,1,12H2,2-10H3
InChIKeyJZSNTQITZDTUON-UHFFFAOYSA-N
XLogP5.82
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.67
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propoxy]-trimethylsilane?
The IUPAC name of [2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propoxy]-trimethylsilane (CID 6430955) is [2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propoxy]-trimethylsilane.
What is the SMILES notation for [2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propoxy]-trimethylsilane?
The canonical SMILES for [2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propoxy]-trimethylsilane is C=CCc1cc(OC)c(OC(C)C(O[Si](C)(C)C)c2cc(OC)c(OC)c(OC)c2)c(OC)c1.
What is the InChIKey of [2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propoxy]-trimethylsilane?
The InChIKey is JZSNTQITZDTUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O7Si/c1-11-12-18-13-20(27-3)26(21(14-18)28-4)32-17(2)24(33-34(8,9)10)19-15-22(29-5)25(31-7)23(16-19)30-6/h11,13-17,24H,1,12H2,2-10H3.
What are the key properties of [2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propoxy]-trimethylsilane?
[2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propoxy]-trimethylsilane has a molecular weight of 490.67 g/mol, XLogP of 5.82, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propoxy]-trimethylsilane is sourced from PubChem (CID 6430955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).