tert-butyl-[3-[1-(4-methoxyphenyl)prop-2-enoxymethyl]penta-1,4-dien-3-yloxy]-dimethylsilane

C22H34O3Si — CID 15526549

IUPACtert-butyl-[3-[1-(4-methoxyphenyl)prop-2-enoxymethyl]penta-1,4-dien-3-yloxy]-dimethylsilane
SMILESC=CC(OCC(C=C)(C=C)O[Si](C)(C)C(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C22H34O3Si/c1-10-20(18-13-15-19(23-7)16-14-18)24-17-22(11-2,12-3)25-26(8,9)21(4,5)6/h10-16,20H,1-3,17H2,4-9H3
InChIKeyBKQQIZREMALNKU-UHFFFAOYSA-N
MW374.60 g/mol
LogP6.07
Rot. Bonds10

About tert-butyl-[3-[1-(4-methoxyphenyl)prop-2-enoxymethyl]penta-1,4-dien-3-yloxy]-dimethylsilane

tert-butyl-[3-[1-(4-methoxyphenyl)prop-2-enoxymethyl]penta-1,4-dien-3-yloxy]-dimethylsilane (PubChem CID 15526549) has the molecular formula C22H34O3Si and a molecular weight of 374.60 g/mol. Its IUPAC name is tert-butyl-[3-[1-(4-methoxyphenyl)prop-2-enoxymethyl]penta-1,4-dien-3-yloxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[1-(4-methoxyphenyl)prop-2-enoxymethyl]penta-1,4-dien-3-yloxy]-dimethylsilane
PubChem CID15526549
Molecular FormulaC22H34O3Si
Molecular Weight374.60 g/mol
Exact Mass374.23
IUPAC Nametert-butyl-[3-[1-(4-methoxyphenyl)prop-2-enoxymethyl]penta-1,4-dien-3-yloxy]-dimethylsilane
SMILESC=CC(OCC(C=C)(C=C)O[Si](C)(C)C(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C22H34O3Si/c1-10-20(18-13-15-19(23-7)16-14-18)24-17-22(11-2,12-3)25-26(8,9)21(4,5)6/h10-16,20H,1-3,17H2,4-9H3
InChIKeyBKQQIZREMALNKU-UHFFFAOYSA-N
XLogP6.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.60
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl-[3-[1-(4-methoxyphenyl)prop-2-enoxymethyl]penta-1,4-dien-3-yloxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-[1-(4-methoxyphenyl)prop-2-enoxymethyl]penta-1,4-dien-3-yloxy]-dimethylsilane (CID 15526549) is tert-butyl-[3-[1-(4-methoxyphenyl)prop-2-enoxymethyl]penta-1,4-dien-3-yloxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-[1-(4-methoxyphenyl)prop-2-enoxymethyl]penta-1,4-dien-3-yloxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-[1-(4-methoxyphenyl)prop-2-enoxymethyl]penta-1,4-dien-3-yloxy]-dimethylsilane is C=CC(OCC(C=C)(C=C)O[Si](C)(C)C(C)(C)C)c1ccc(OC)cc1.
What is the InChIKey of tert-butyl-[3-[1-(4-methoxyphenyl)prop-2-enoxymethyl]penta-1,4-dien-3-yloxy]-dimethylsilane?
The InChIKey is BKQQIZREMALNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O3Si/c1-10-20(18-13-15-19(23-7)16-14-18)24-17-22(11-2,12-3)25-26(8,9)21(4,5)6/h10-16,20H,1-3,17H2,4-9H3.
What are the key properties of tert-butyl-[3-[1-(4-methoxyphenyl)prop-2-enoxymethyl]penta-1,4-dien-3-yloxy]-dimethylsilane?
tert-butyl-[3-[1-(4-methoxyphenyl)prop-2-enoxymethyl]penta-1,4-dien-3-yloxy]-dimethylsilane has a molecular weight of 374.60 g/mol, XLogP of 6.07, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[1-(4-methoxyphenyl)prop-2-enoxymethyl]penta-1,4-dien-3-yloxy]-dimethylsilane is sourced from PubChem (CID 15526549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).