[(Z)-3-iodo-4-methylpent-2-enoxy]-trimethylsilane

C9H19IOSi — CID 10803999

IUPAC[(Z)-3-iodo-4-methylpent-2-enoxy]-trimethylsilane
SMILESCC(C)/C(I)=C/CO[Si](C)(C)C
InChIInChI=1S/C9H19IOSi/c1-8(2)9(10)6-7-11-12(3,4)5/h6,8H,7H2,1-5H3/b9-6-
InChIKeyNCPOESVYEPTBAE-TWGQIWQCSA-N
MW298.24 g/mol
LogP3.81
Rot. Bonds4

About [(Z)-3-iodo-4-methylpent-2-enoxy]-trimethylsilane

[(Z)-3-iodo-4-methylpent-2-enoxy]-trimethylsilane (PubChem CID 10803999) has the molecular formula C9H19IOSi and a molecular weight of 298.24 g/mol. Its IUPAC name is [(Z)-3-iodo-4-methylpent-2-enoxy]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-3-iodo-4-methylpent-2-enoxy]-trimethylsilane
PubChem CID10803999
Molecular FormulaC9H19IOSi
Molecular Weight298.24 g/mol
Exact Mass298.02
IUPAC Name[(Z)-3-iodo-4-methylpent-2-enoxy]-trimethylsilane
SMILESCC(C)/C(I)=C/CO[Si](C)(C)C
InChIInChI=1S/C9H19IOSi/c1-8(2)9(10)6-7-11-12(3,4)5/h6,8H,7H2,1-5H3/b9-6-
InChIKeyNCPOESVYEPTBAE-TWGQIWQCSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-iodo-4-methylpent-2-enoxy]-trimethylsilane?
The IUPAC name of [(Z)-3-iodo-4-methylpent-2-enoxy]-trimethylsilane (CID 10803999) is [(Z)-3-iodo-4-methylpent-2-enoxy]-trimethylsilane.
What is the SMILES notation for [(Z)-3-iodo-4-methylpent-2-enoxy]-trimethylsilane?
The canonical SMILES for [(Z)-3-iodo-4-methylpent-2-enoxy]-trimethylsilane is CC(C)/C(I)=C/CO[Si](C)(C)C.
What is the InChIKey of [(Z)-3-iodo-4-methylpent-2-enoxy]-trimethylsilane?
The InChIKey is NCPOESVYEPTBAE-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H19IOSi/c1-8(2)9(10)6-7-11-12(3,4)5/h6,8H,7H2,1-5H3/b9-6-.
What are the key properties of [(Z)-3-iodo-4-methylpent-2-enoxy]-trimethylsilane?
[(Z)-3-iodo-4-methylpent-2-enoxy]-trimethylsilane has a molecular weight of 298.24 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-iodo-4-methylpent-2-enoxy]-trimethylsilane is sourced from PubChem (CID 10803999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).