6-trimethoxysilylhex-1-en-3-one

C9H18O4Si — CID 22323146

IUPAC6-trimethoxysilylhex-1-en-3-one
SMILESC=CC(=O)CCC[Si](OC)(OC)OC
InChIInChI=1S/C9H18O4Si/c1-5-9(10)7-6-8-14(11-2,12-3)13-4/h5H,1,6-8H2,2-4H3
InChIKeyUNPYQHQUDMGKJW-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.40
Rot. Bonds8

About 6-trimethoxysilylhex-1-en-3-one

6-trimethoxysilylhex-1-en-3-one (PubChem CID 22323146) has the molecular formula C9H18O4Si and a molecular weight of 218.32 g/mol. Its IUPAC name is 6-trimethoxysilylhex-1-en-3-one.

Molecular Properties

Compound Name6-trimethoxysilylhex-1-en-3-one
PubChem CID22323146
Molecular FormulaC9H18O4Si
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name6-trimethoxysilylhex-1-en-3-one
SMILESC=CC(=O)CCC[Si](OC)(OC)OC
InChIInChI=1S/C9H18O4Si/c1-5-9(10)7-6-8-14(11-2,12-3)13-4/h5H,1,6-8H2,2-4H3
InChIKeyUNPYQHQUDMGKJW-UHFFFAOYSA-N
XLogP1.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6-trimethoxysilylhex-1-en-3-one?
The IUPAC name of 6-trimethoxysilylhex-1-en-3-one (CID 22323146) is 6-trimethoxysilylhex-1-en-3-one.
What is the SMILES notation for 6-trimethoxysilylhex-1-en-3-one?
The canonical SMILES for 6-trimethoxysilylhex-1-en-3-one is C=CC(=O)CCC[Si](OC)(OC)OC.
What is the InChIKey of 6-trimethoxysilylhex-1-en-3-one?
The InChIKey is UNPYQHQUDMGKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4Si/c1-5-9(10)7-6-8-14(11-2,12-3)13-4/h5H,1,6-8H2,2-4H3.
What are the key properties of 6-trimethoxysilylhex-1-en-3-one?
6-trimethoxysilylhex-1-en-3-one has a molecular weight of 218.32 g/mol, XLogP of 1.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-trimethoxysilylhex-1-en-3-one is sourced from PubChem (CID 22323146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).