1-(2-silyloxan-2-yl)but-2-en-1-one

C9H16O2Si — CID 174616395

IUPAC1-(2-silyloxan-2-yl)but-2-en-1-one
SMILESCC=CC(=O)C1([SiH3])CCCCO1
InChIInChI=1S/C9H16O2Si/c1-2-5-8(10)9(12)6-3-4-7-11-9/h2,5H,3-4,6-7H2,1,12H3
InChIKeyHZCROQUSTZDESV-UHFFFAOYSA-N
MW184.31 g/mol
LogP0.39
Rot. Bonds2

About 1-(2-silyloxan-2-yl)but-2-en-1-one

1-(2-silyloxan-2-yl)but-2-en-1-one (PubChem CID 174616395) has the molecular formula C9H16O2Si and a molecular weight of 184.31 g/mol. Its IUPAC name is 1-(2-silyloxan-2-yl)but-2-en-1-one.

Molecular Properties

Compound Name1-(2-silyloxan-2-yl)but-2-en-1-one
PubChem CID174616395
Molecular FormulaC9H16O2Si
Molecular Weight184.31 g/mol
Exact Mass184.09
IUPAC Name1-(2-silyloxan-2-yl)but-2-en-1-one
SMILESCC=CC(=O)C1([SiH3])CCCCO1
InChIInChI=1S/C9H16O2Si/c1-2-5-8(10)9(12)6-3-4-7-11-9/h2,5H,3-4,6-7H2,1,12H3
InChIKeyHZCROQUSTZDESV-UHFFFAOYSA-N
XLogP0.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 1-(2-silyloxan-2-yl)but-2-en-1-one?
The IUPAC name of 1-(2-silyloxan-2-yl)but-2-en-1-one (CID 174616395) is 1-(2-silyloxan-2-yl)but-2-en-1-one.
What is the SMILES notation for 1-(2-silyloxan-2-yl)but-2-en-1-one?
The canonical SMILES for 1-(2-silyloxan-2-yl)but-2-en-1-one is CC=CC(=O)C1([SiH3])CCCCO1.
What is the InChIKey of 1-(2-silyloxan-2-yl)but-2-en-1-one?
The InChIKey is HZCROQUSTZDESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2Si/c1-2-5-8(10)9(12)6-3-4-7-11-9/h2,5H,3-4,6-7H2,1,12H3.
What are the key properties of 1-(2-silyloxan-2-yl)but-2-en-1-one?
1-(2-silyloxan-2-yl)but-2-en-1-one has a molecular weight of 184.31 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-silyloxan-2-yl)but-2-en-1-one is sourced from PubChem (CID 174616395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).