[(Z)-1-bromo-4-methylpent-2-en-3-yl]-trimethylsilane

C9H19BrSi — CID 10585822

IUPAC[(Z)-1-bromo-4-methylpent-2-en-3-yl]-trimethylsilane
SMILESCC(C)/C(=C/CBr)[Si](C)(C)C
InChIInChI=1S/C9H19BrSi/c1-8(2)9(6-7-10)11(3,4)5/h6,8H,7H2,1-5H3/b9-6-
InChIKeyRYRXHQFATANFPE-TWGQIWQCSA-N
MW235.24 g/mol
LogP3.84
Rot. Bonds3

About [(Z)-1-bromo-4-methylpent-2-en-3-yl]-trimethylsilane

[(Z)-1-bromo-4-methylpent-2-en-3-yl]-trimethylsilane (PubChem CID 10585822) has the molecular formula C9H19BrSi and a molecular weight of 235.24 g/mol. Its IUPAC name is [(Z)-1-bromo-4-methylpent-2-en-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-1-bromo-4-methylpent-2-en-3-yl]-trimethylsilane
PubChem CID10585822
Molecular FormulaC9H19BrSi
Molecular Weight235.24 g/mol
Exact Mass234.04
IUPAC Name[(Z)-1-bromo-4-methylpent-2-en-3-yl]-trimethylsilane
SMILESCC(C)/C(=C/CBr)[Si](C)(C)C
InChIInChI=1S/C9H19BrSi/c1-8(2)9(6-7-10)11(3,4)5/h6,8H,7H2,1-5H3/b9-6-
InChIKeyRYRXHQFATANFPE-TWGQIWQCSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-bromo-4-methylpent-2-en-3-yl]-trimethylsilane?
The IUPAC name of [(Z)-1-bromo-4-methylpent-2-en-3-yl]-trimethylsilane (CID 10585822) is [(Z)-1-bromo-4-methylpent-2-en-3-yl]-trimethylsilane.
What is the SMILES notation for [(Z)-1-bromo-4-methylpent-2-en-3-yl]-trimethylsilane?
The canonical SMILES for [(Z)-1-bromo-4-methylpent-2-en-3-yl]-trimethylsilane is CC(C)/C(=C/CBr)[Si](C)(C)C.
What is the InChIKey of [(Z)-1-bromo-4-methylpent-2-en-3-yl]-trimethylsilane?
The InChIKey is RYRXHQFATANFPE-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H19BrSi/c1-8(2)9(6-7-10)11(3,4)5/h6,8H,7H2,1-5H3/b9-6-.
What are the key properties of [(Z)-1-bromo-4-methylpent-2-en-3-yl]-trimethylsilane?
[(Z)-1-bromo-4-methylpent-2-en-3-yl]-trimethylsilane has a molecular weight of 235.24 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-bromo-4-methylpent-2-en-3-yl]-trimethylsilane is sourced from PubChem (CID 10585822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).