[(E)-1-trimethylsilylpent-1-en-3-yl] acetate

C10H20O2Si — CID 10910548

IUPAC[(E)-1-trimethylsilylpent-1-en-3-yl] acetate
SMILESCCC(/C=C/[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C10H20O2Si/c1-6-10(12-9(2)11)7-8-13(3,4)5/h7-8,10H,6H2,1-5H3/b8-7+
InChIKeyKHFDNXQKQLZLFV-BQYQJAHWSA-N
MW200.35 g/mol
LogP2.76
Rot. Bonds4

About [(E)-1-trimethylsilylpent-1-en-3-yl] acetate

[(E)-1-trimethylsilylpent-1-en-3-yl] acetate (PubChem CID 10910548) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is [(E)-1-trimethylsilylpent-1-en-3-yl] acetate.

Molecular Properties

Compound Name[(E)-1-trimethylsilylpent-1-en-3-yl] acetate
PubChem CID10910548
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name[(E)-1-trimethylsilylpent-1-en-3-yl] acetate
SMILESCCC(/C=C/[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C10H20O2Si/c1-6-10(12-9(2)11)7-8-13(3,4)5/h7-8,10H,6H2,1-5H3/b8-7+
InChIKeyKHFDNXQKQLZLFV-BQYQJAHWSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-trimethylsilylpent-1-en-3-yl] acetate?
The IUPAC name of [(E)-1-trimethylsilylpent-1-en-3-yl] acetate (CID 10910548) is [(E)-1-trimethylsilylpent-1-en-3-yl] acetate.
What is the SMILES notation for [(E)-1-trimethylsilylpent-1-en-3-yl] acetate?
The canonical SMILES for [(E)-1-trimethylsilylpent-1-en-3-yl] acetate is CCC(/C=C/[Si](C)(C)C)OC(C)=O.
What is the InChIKey of [(E)-1-trimethylsilylpent-1-en-3-yl] acetate?
The InChIKey is KHFDNXQKQLZLFV-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-6-10(12-9(2)11)7-8-13(3,4)5/h7-8,10H,6H2,1-5H3/b8-7+.
What are the key properties of [(E)-1-trimethylsilylpent-1-en-3-yl] acetate?
[(E)-1-trimethylsilylpent-1-en-3-yl] acetate has a molecular weight of 200.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-trimethylsilylpent-1-en-3-yl] acetate is sourced from PubChem (CID 10910548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).