[(E)-3-deuterio-3,4-dimethylpent-1-enyl]-fluoro-dimethylsilane

C9H19FSi — CID 13065755

IUPAC[(E)-3-deuterio-3,4-dimethylpent-1-enyl]-fluoro-dimethylsilane
SMILES[2H]C(C)(/C=C/[Si](C)(C)F)C(C)C
InChIInChI=1S/C9H19FSi/c1-8(2)9(3)6-7-11(4,5)10/h6-9H,1-5H3/b7-6+/i9D
InChIKeyIBZRMPHSYHSDFK-PQCKYATKSA-N
MW175.34 g/mol
LogP3.55
Rot. Bonds3

About [(E)-3-deuterio-3,4-dimethylpent-1-enyl]-fluoro-dimethylsilane

[(E)-3-deuterio-3,4-dimethylpent-1-enyl]-fluoro-dimethylsilane (PubChem CID 13065755) has the molecular formula C9H19FSi and a molecular weight of 175.34 g/mol. Its IUPAC name is [(E)-3-deuterio-3,4-dimethylpent-1-enyl]-fluoro-dimethylsilane.

Molecular Properties

Compound Name[(E)-3-deuterio-3,4-dimethylpent-1-enyl]-fluoro-dimethylsilane
PubChem CID13065755
Molecular FormulaC9H19FSi
Molecular Weight175.34 g/mol
Exact Mass175.13
IUPAC Name[(E)-3-deuterio-3,4-dimethylpent-1-enyl]-fluoro-dimethylsilane
SMILES[2H]C(C)(/C=C/[Si](C)(C)F)C(C)C
InChIInChI=1S/C9H19FSi/c1-8(2)9(3)6-7-11(4,5)10/h6-9H,1-5H3/b7-6+/i9D
InChIKeyIBZRMPHSYHSDFK-PQCKYATKSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-deuterio-3,4-dimethylpent-1-enyl]-fluoro-dimethylsilane?
The IUPAC name of [(E)-3-deuterio-3,4-dimethylpent-1-enyl]-fluoro-dimethylsilane (CID 13065755) is [(E)-3-deuterio-3,4-dimethylpent-1-enyl]-fluoro-dimethylsilane.
What is the SMILES notation for [(E)-3-deuterio-3,4-dimethylpent-1-enyl]-fluoro-dimethylsilane?
The canonical SMILES for [(E)-3-deuterio-3,4-dimethylpent-1-enyl]-fluoro-dimethylsilane is [2H]C(C)(/C=C/[Si](C)(C)F)C(C)C.
What is the InChIKey of [(E)-3-deuterio-3,4-dimethylpent-1-enyl]-fluoro-dimethylsilane?
The InChIKey is IBZRMPHSYHSDFK-PQCKYATKSA-N. The full InChI is InChI=1S/C9H19FSi/c1-8(2)9(3)6-7-11(4,5)10/h6-9H,1-5H3/b7-6+/i9D.
What are the key properties of [(E)-3-deuterio-3,4-dimethylpent-1-enyl]-fluoro-dimethylsilane?
[(E)-3-deuterio-3,4-dimethylpent-1-enyl]-fluoro-dimethylsilane has a molecular weight of 175.34 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-deuterio-3,4-dimethylpent-1-enyl]-fluoro-dimethylsilane is sourced from PubChem (CID 13065755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).