5-trimethylsilyloxyhept-4-en-3-one

C10H20O2Si — CID 71414557

IUPAC5-trimethylsilyloxyhept-4-en-3-one
SMILESCCC(=O)C=C(CC)O[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-6-9(11)8-10(7-2)12-13(3,4)5/h8H,6-7H2,1-5H3
InChIKeyLJMQUCQFTFTAMK-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.11
Rot. Bonds5

About 5-trimethylsilyloxyhept-4-en-3-one

5-trimethylsilyloxyhept-4-en-3-one (PubChem CID 71414557) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is 5-trimethylsilyloxyhept-4-en-3-one.

Molecular Properties

Compound Name5-trimethylsilyloxyhept-4-en-3-one
PubChem CID71414557
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name5-trimethylsilyloxyhept-4-en-3-one
SMILESCCC(=O)C=C(CC)O[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-6-9(11)8-10(7-2)12-13(3,4)5/h8H,6-7H2,1-5H3
InChIKeyLJMQUCQFTFTAMK-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-trimethylsilyloxyhept-4-en-3-one?
The IUPAC name of 5-trimethylsilyloxyhept-4-en-3-one (CID 71414557) is 5-trimethylsilyloxyhept-4-en-3-one.
What is the SMILES notation for 5-trimethylsilyloxyhept-4-en-3-one?
The canonical SMILES for 5-trimethylsilyloxyhept-4-en-3-one is CCC(=O)C=C(CC)O[Si](C)(C)C.
What is the InChIKey of 5-trimethylsilyloxyhept-4-en-3-one?
The InChIKey is LJMQUCQFTFTAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-6-9(11)8-10(7-2)12-13(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of 5-trimethylsilyloxyhept-4-en-3-one?
5-trimethylsilyloxyhept-4-en-3-one has a molecular weight of 200.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-trimethylsilyloxyhept-4-en-3-one is sourced from PubChem (CID 71414557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).