[(3E)-4-(3,5-dimethoxyphenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane

C21H34O3Si — CID 154709737

IUPAC[(3E)-4-(3,5-dimethoxyphenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane
SMILESC=C(/C=C/c1cc(OC)cc(OC)c1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H34O3Si/c1-15(2)25(16(3)4,17(5)6)24-18(7)10-11-19-12-20(22-8)14-21(13-19)23-9/h10-17H,7H2,1-6,8-9H3/b11-10+
InChIKeyYMHYJPIGVFXVSA-ZHACJKMWSA-N
MW362.59 g/mol
LogP6.42
Rot. Bonds9

About [(3E)-4-(3,5-dimethoxyphenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane

[(3E)-4-(3,5-dimethoxyphenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane (PubChem CID 154709737) has the molecular formula C21H34O3Si and a molecular weight of 362.59 g/mol. Its IUPAC name is [(3E)-4-(3,5-dimethoxyphenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3E)-4-(3,5-dimethoxyphenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane
PubChem CID154709737
Molecular FormulaC21H34O3Si
Molecular Weight362.59 g/mol
Exact Mass362.23
IUPAC Name[(3E)-4-(3,5-dimethoxyphenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane
SMILESC=C(/C=C/c1cc(OC)cc(OC)c1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H34O3Si/c1-15(2)25(16(3)4,17(5)6)24-18(7)10-11-19-12-20(22-8)14-21(13-19)23-9/h10-17H,7H2,1-6,8-9H3/b11-10+
InChIKeyYMHYJPIGVFXVSA-ZHACJKMWSA-N
XLogP6.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.59
LogP ≤ 56.42
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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Frequently Asked Questions

What is the IUPAC name of [(3E)-4-(3,5-dimethoxyphenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(3E)-4-(3,5-dimethoxyphenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane (CID 154709737) is [(3E)-4-(3,5-dimethoxyphenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(3E)-4-(3,5-dimethoxyphenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(3E)-4-(3,5-dimethoxyphenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane is C=C(/C=C/c1cc(OC)cc(OC)c1)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(3E)-4-(3,5-dimethoxyphenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is YMHYJPIGVFXVSA-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H34O3Si/c1-15(2)25(16(3)4,17(5)6)24-18(7)10-11-19-12-20(22-8)14-21(13-19)23-9/h10-17H,7H2,1-6,8-9H3/b11-10+.
What are the key properties of [(3E)-4-(3,5-dimethoxyphenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane?
[(3E)-4-(3,5-dimethoxyphenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 362.59 g/mol, XLogP of 6.42, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-4-(3,5-dimethoxyphenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 154709737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).