4-(silyloxymethyl)hex-1-en-3-one

C7H14O2Si — CID 175009545

IUPAC4-(silyloxymethyl)hex-1-en-3-one
SMILESC=CC(=O)C(CC)CO[SiH3]
InChIInChI=1S/C7H14O2Si/c1-3-6(5-9-10)7(8)4-2/h4,6H,2-3,5H2,1,10H3
InChIKeyGPDAXLRSEKIBCP-UHFFFAOYSA-N
MW158.27 g/mol
LogP0.06
Rot. Bonds5

About 4-(silyloxymethyl)hex-1-en-3-one

4-(silyloxymethyl)hex-1-en-3-one (PubChem CID 175009545) has the molecular formula C7H14O2Si and a molecular weight of 158.27 g/mol. Its IUPAC name is 4-(silyloxymethyl)hex-1-en-3-one.

Molecular Properties

Compound Name4-(silyloxymethyl)hex-1-en-3-one
PubChem CID175009545
Molecular FormulaC7H14O2Si
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name4-(silyloxymethyl)hex-1-en-3-one
SMILESC=CC(=O)C(CC)CO[SiH3]
InChIInChI=1S/C7H14O2Si/c1-3-6(5-9-10)7(8)4-2/h4,6H,2-3,5H2,1,10H3
InChIKeyGPDAXLRSEKIBCP-UHFFFAOYSA-N
XLogP0.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.06
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 4-(silyloxymethyl)hex-1-en-3-one?
The IUPAC name of 4-(silyloxymethyl)hex-1-en-3-one (CID 175009545) is 4-(silyloxymethyl)hex-1-en-3-one.
What is the SMILES notation for 4-(silyloxymethyl)hex-1-en-3-one?
The canonical SMILES for 4-(silyloxymethyl)hex-1-en-3-one is C=CC(=O)C(CC)CO[SiH3].
What is the InChIKey of 4-(silyloxymethyl)hex-1-en-3-one?
The InChIKey is GPDAXLRSEKIBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2Si/c1-3-6(5-9-10)7(8)4-2/h4,6H,2-3,5H2,1,10H3.
What are the key properties of 4-(silyloxymethyl)hex-1-en-3-one?
4-(silyloxymethyl)hex-1-en-3-one has a molecular weight of 158.27 g/mol, XLogP of 0.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(silyloxymethyl)hex-1-en-3-one is sourced from PubChem (CID 175009545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).