[1-ethoxy-5-methyl-2-(3-methylbut-2-enyl)hexa-1,4-dienoxy]-trimethylsilane

C17H32O2Si — CID 24949364

IUPAC[1-ethoxy-5-methyl-2-(3-methylbut-2-enyl)hexa-1,4-dienoxy]-trimethylsilane
SMILESCCOC(O[Si](C)(C)C)=C(CC=C(C)C)CC=C(C)C
InChIInChI=1S/C17H32O2Si/c1-9-18-17(19-20(6,7)8)16(12-10-14(2)3)13-11-15(4)5/h10-11H,9,12-13H2,1-8H3
InChIKeyFFQXHWAXOINZST-UHFFFAOYSA-N
MW296.53 g/mol
LogP5.80
Rot. Bonds8

About [1-ethoxy-5-methyl-2-(3-methylbut-2-enyl)hexa-1,4-dienoxy]-trimethylsilane

[1-ethoxy-5-methyl-2-(3-methylbut-2-enyl)hexa-1,4-dienoxy]-trimethylsilane (PubChem CID 24949364) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is [1-ethoxy-5-methyl-2-(3-methylbut-2-enyl)hexa-1,4-dienoxy]-trimethylsilane.

Molecular Properties

Compound Name[1-ethoxy-5-methyl-2-(3-methylbut-2-enyl)hexa-1,4-dienoxy]-trimethylsilane
PubChem CID24949364
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name[1-ethoxy-5-methyl-2-(3-methylbut-2-enyl)hexa-1,4-dienoxy]-trimethylsilane
SMILESCCOC(O[Si](C)(C)C)=C(CC=C(C)C)CC=C(C)C
InChIInChI=1S/C17H32O2Si/c1-9-18-17(19-20(6,7)8)16(12-10-14(2)3)13-11-15(4)5/h10-11H,9,12-13H2,1-8H3
InChIKeyFFQXHWAXOINZST-UHFFFAOYSA-N
XLogP5.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(Z)-ethoxy-(4-methyl-2-methylidenecyclohex-3-en-1-ylidene)methoxy]-trimethylsilane
CID 13453660
(1-Ethoxy-2-prop-2-enylpenta-1,4-dienoxy)-trimethylsilane
CID 101865642
tert-butyl-[(E)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methoxyethenoxy]-dimethylsilane
CID 134880484
[(1Z,3Z)-1-ethoxy-3-trimethylsilyloxyocta-1,3-dienoxy]-trimethylsilane
CID 134880886
tert-butyl-[(1Z,3E)-1-ethoxyocta-1,3-dienoxy]-dimethylsilane
CID 135072420
lithium (1Z)-1-ethoxy-3-methyl-8-trimethylsilyl-7-(trimethylsilylmethyl)octa-1,6-dien-1-olate
CID 176431593
[(1Z,4E)-1-methoxy-5,9-dimethyl-2-(1-trimethylsilyloxyethenyl)deca-1,4,8-trienoxy]-trimethylsilane
CID 10960279
tert-butyl-dimethyl-[[(4Z,9E)-3,6,7,8-tetrahydro-2H-oxecin-10-yl]oxy]silane
CID 11536324
[(1E)-1-ethoxy-5-methyl-2-(1-trimethylsilyloxyethenyl)hexa-1,4-dienoxy]-trimethylsilane
CID 46894444
[(1E)-1-ethoxy-6-methyl-2-(1-trimethylsilyloxyethenyl)hepta-1,5-dienoxy]-trimethylsilane
CID 46896234
{[2-(Cyclohex-1-en-1-yl)-1-ethoxyethenyl]oxy}(trimethyl)silane
CID 71347105
tert-butyl-[(1E,3E)-1-ethoxyocta-1,3-dienoxy]-dimethylsilane
CID 102225707

Frequently Asked Questions

What is the IUPAC name of [1-ethoxy-5-methyl-2-(3-methylbut-2-enyl)hexa-1,4-dienoxy]-trimethylsilane?
The IUPAC name of [1-ethoxy-5-methyl-2-(3-methylbut-2-enyl)hexa-1,4-dienoxy]-trimethylsilane (CID 24949364) is [1-ethoxy-5-methyl-2-(3-methylbut-2-enyl)hexa-1,4-dienoxy]-trimethylsilane.
What is the SMILES notation for [1-ethoxy-5-methyl-2-(3-methylbut-2-enyl)hexa-1,4-dienoxy]-trimethylsilane?
The canonical SMILES for [1-ethoxy-5-methyl-2-(3-methylbut-2-enyl)hexa-1,4-dienoxy]-trimethylsilane is CCOC(O[Si](C)(C)C)=C(CC=C(C)C)CC=C(C)C.
What is the InChIKey of [1-ethoxy-5-methyl-2-(3-methylbut-2-enyl)hexa-1,4-dienoxy]-trimethylsilane?
The InChIKey is FFQXHWAXOINZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-9-18-17(19-20(6,7)8)16(12-10-14(2)3)13-11-15(4)5/h10-11H,9,12-13H2,1-8H3.
What are the key properties of [1-ethoxy-5-methyl-2-(3-methylbut-2-enyl)hexa-1,4-dienoxy]-trimethylsilane?
[1-ethoxy-5-methyl-2-(3-methylbut-2-enyl)hexa-1,4-dienoxy]-trimethylsilane has a molecular weight of 296.53 g/mol, XLogP of 5.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethoxy-5-methyl-2-(3-methylbut-2-enyl)hexa-1,4-dienoxy]-trimethylsilane is sourced from PubChem (CID 24949364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).