methoxy-[(E)-1-[1-(methoxy-methyl-prop-2-enylsilyl)oxybutoxy]hept-2-en-4-yl]oxy-methyl-prop-2-enylsilane

C21H42O5Si2 — CID 141299751

IUPACmethoxy-[(E)-1-[1-(methoxy-methyl-prop-2-enylsilyl)oxybutoxy]hept-2-en-4-yl]oxy-methyl-prop-2-enylsilane
SMILESC=CC[Si](C)(OC)OC(/C=C/COC(CCC)O[Si](C)(CC=C)OC)CCC
InChIInChI=1S/C21H42O5Si2/c1-9-14-20(25-27(7,22-5)18-11-3)16-13-17-24-21(15-10-2)26-28(8,23-6)19-12-4/h11-13,16,20-21H,3-4,9-10,14-15,17-19H2,1-2,5-8H3/b16-13+
InChIKeyMWJUXSGVKATRNF-DTQAZKPQSA-N
MW430.73 g/mol
LogP5.70
Rot. Bonds18

About methoxy-[(E)-1-[1-(methoxy-methyl-prop-2-enylsilyl)oxybutoxy]hept-2-en-4-yl]oxy-methyl-prop-2-enylsilane

methoxy-[(E)-1-[1-(methoxy-methyl-prop-2-enylsilyl)oxybutoxy]hept-2-en-4-yl]oxy-methyl-prop-2-enylsilane (PubChem CID 141299751) has the molecular formula C21H42O5Si2 and a molecular weight of 430.73 g/mol. Its IUPAC name is methoxy-[(E)-1-[1-(methoxy-methyl-prop-2-enylsilyl)oxybutoxy]hept-2-en-4-yl]oxy-methyl-prop-2-enylsilane.

Molecular Properties

Compound Namemethoxy-[(E)-1-[1-(methoxy-methyl-prop-2-enylsilyl)oxybutoxy]hept-2-en-4-yl]oxy-methyl-prop-2-enylsilane
PubChem CID141299751
Molecular FormulaC21H42O5Si2
Molecular Weight430.73 g/mol
Exact Mass430.26
IUPAC Namemethoxy-[(E)-1-[1-(methoxy-methyl-prop-2-enylsilyl)oxybutoxy]hept-2-en-4-yl]oxy-methyl-prop-2-enylsilane
SMILESC=CC[Si](C)(OC)OC(/C=C/COC(CCC)O[Si](C)(CC=C)OC)CCC
InChIInChI=1S/C21H42O5Si2/c1-9-14-20(25-27(7,22-5)18-11-3)16-13-17-24-21(15-10-2)26-28(8,23-6)19-12-4/h11-13,16,20-21H,3-4,9-10,14-15,17-19H2,1-2,5-8H3/b16-13+
InChIKeyMWJUXSGVKATRNF-DTQAZKPQSA-N
XLogP5.70
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.73
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxy-[(E)-1-[1-(methoxy-methyl-prop-2-enylsilyl)oxybutoxy]hept-2-en-4-yl]oxy-methyl-prop-2-enylsilane?
The IUPAC name of methoxy-[(E)-1-[1-(methoxy-methyl-prop-2-enylsilyl)oxybutoxy]hept-2-en-4-yl]oxy-methyl-prop-2-enylsilane (CID 141299751) is methoxy-[(E)-1-[1-(methoxy-methyl-prop-2-enylsilyl)oxybutoxy]hept-2-en-4-yl]oxy-methyl-prop-2-enylsilane.
What is the SMILES notation for methoxy-[(E)-1-[1-(methoxy-methyl-prop-2-enylsilyl)oxybutoxy]hept-2-en-4-yl]oxy-methyl-prop-2-enylsilane?
The canonical SMILES for methoxy-[(E)-1-[1-(methoxy-methyl-prop-2-enylsilyl)oxybutoxy]hept-2-en-4-yl]oxy-methyl-prop-2-enylsilane is C=CC[Si](C)(OC)OC(/C=C/COC(CCC)O[Si](C)(CC=C)OC)CCC.
What is the InChIKey of methoxy-[(E)-1-[1-(methoxy-methyl-prop-2-enylsilyl)oxybutoxy]hept-2-en-4-yl]oxy-methyl-prop-2-enylsilane?
The InChIKey is MWJUXSGVKATRNF-DTQAZKPQSA-N. The full InChI is InChI=1S/C21H42O5Si2/c1-9-14-20(25-27(7,22-5)18-11-3)16-13-17-24-21(15-10-2)26-28(8,23-6)19-12-4/h11-13,16,20-21H,3-4,9-10,14-15,17-19H2,1-2,5-8H3/b16-13+.
What are the key properties of methoxy-[(E)-1-[1-(methoxy-methyl-prop-2-enylsilyl)oxybutoxy]hept-2-en-4-yl]oxy-methyl-prop-2-enylsilane?
methoxy-[(E)-1-[1-(methoxy-methyl-prop-2-enylsilyl)oxybutoxy]hept-2-en-4-yl]oxy-methyl-prop-2-enylsilane has a molecular weight of 430.73 g/mol, XLogP of 5.70, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[(E)-1-[1-(methoxy-methyl-prop-2-enylsilyl)oxybutoxy]hept-2-en-4-yl]oxy-methyl-prop-2-enylsilane is sourced from PubChem (CID 141299751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).