[(Z)-3-ethyl-2-methylhept-1-enoxy]-trimethylsilane

C13H28OSi — CID 134901430

IUPAC[(Z)-3-ethyl-2-methylhept-1-enoxy]-trimethylsilane
SMILESCCCCC(CC)/C(C)=C\O[Si](C)(C)C
InChIInChI=1S/C13H28OSi/c1-7-9-10-13(8-2)12(3)11-14-15(4,5)6/h11,13H,7-10H2,1-6H3/b12-11-
InChIKeyYCAASYUUTKYMSX-QXMHVHEDSA-N
MW228.45 g/mol
LogP4.96
Rot. Bonds7

About [(Z)-3-ethyl-2-methylhept-1-enoxy]-trimethylsilane

[(Z)-3-ethyl-2-methylhept-1-enoxy]-trimethylsilane (PubChem CID 134901430) has the molecular formula C13H28OSi and a molecular weight of 228.45 g/mol. Its IUPAC name is [(Z)-3-ethyl-2-methylhept-1-enoxy]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-3-ethyl-2-methylhept-1-enoxy]-trimethylsilane
PubChem CID134901430
Molecular FormulaC13H28OSi
Molecular Weight228.45 g/mol
Exact Mass228.19
IUPAC Name[(Z)-3-ethyl-2-methylhept-1-enoxy]-trimethylsilane
SMILESCCCCC(CC)/C(C)=C\O[Si](C)(C)C
InChIInChI=1S/C13H28OSi/c1-7-9-10-13(8-2)12(3)11-14-15(4,5)6/h11,13H,7-10H2,1-6H3/b12-11-
InChIKeyYCAASYUUTKYMSX-QXMHVHEDSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.45
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-ethyl-2-methylhept-1-enoxy]-trimethylsilane?
The IUPAC name of [(Z)-3-ethyl-2-methylhept-1-enoxy]-trimethylsilane (CID 134901430) is [(Z)-3-ethyl-2-methylhept-1-enoxy]-trimethylsilane.
What is the SMILES notation for [(Z)-3-ethyl-2-methylhept-1-enoxy]-trimethylsilane?
The canonical SMILES for [(Z)-3-ethyl-2-methylhept-1-enoxy]-trimethylsilane is CCCCC(CC)/C(C)=C\O[Si](C)(C)C.
What is the InChIKey of [(Z)-3-ethyl-2-methylhept-1-enoxy]-trimethylsilane?
The InChIKey is YCAASYUUTKYMSX-QXMHVHEDSA-N. The full InChI is InChI=1S/C13H28OSi/c1-7-9-10-13(8-2)12(3)11-14-15(4,5)6/h11,13H,7-10H2,1-6H3/b12-11-.
What are the key properties of [(Z)-3-ethyl-2-methylhept-1-enoxy]-trimethylsilane?
[(Z)-3-ethyl-2-methylhept-1-enoxy]-trimethylsilane has a molecular weight of 228.45 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-ethyl-2-methylhept-1-enoxy]-trimethylsilane is sourced from PubChem (CID 134901430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).