5-trimethoxysilylpentan-2-one

C8H18O4Si — CID 87508337

IUPAC5-trimethoxysilylpentan-2-one
SMILESCO[Si](CCCC(C)=O)(OC)OC
InChIInChI=1S/C8H18O4Si/c1-8(9)6-5-7-13(10-2,11-3)12-4/h5-7H2,1-4H3
InChIKeyWZNQBQWHCXXDRL-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.23
Rot. Bonds7

About 5-trimethoxysilylpentan-2-one

5-trimethoxysilylpentan-2-one (PubChem CID 87508337) has the molecular formula C8H18O4Si and a molecular weight of 206.31 g/mol. Its IUPAC name is 5-trimethoxysilylpentan-2-one.

Molecular Properties

Compound Name5-trimethoxysilylpentan-2-one
PubChem CID87508337
Molecular FormulaC8H18O4Si
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name5-trimethoxysilylpentan-2-one
SMILESCO[Si](CCCC(C)=O)(OC)OC
InChIInChI=1S/C8H18O4Si/c1-8(9)6-5-7-13(10-2,11-3)12-4/h5-7H2,1-4H3
InChIKeyWZNQBQWHCXXDRL-UHFFFAOYSA-N
XLogP1.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-trimethoxysilylpentan-2-one?
The IUPAC name of 5-trimethoxysilylpentan-2-one (CID 87508337) is 5-trimethoxysilylpentan-2-one.
What is the SMILES notation for 5-trimethoxysilylpentan-2-one?
The canonical SMILES for 5-trimethoxysilylpentan-2-one is CO[Si](CCCC(C)=O)(OC)OC.
What is the InChIKey of 5-trimethoxysilylpentan-2-one?
The InChIKey is WZNQBQWHCXXDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4Si/c1-8(9)6-5-7-13(10-2,11-3)12-4/h5-7H2,1-4H3.
What are the key properties of 5-trimethoxysilylpentan-2-one?
5-trimethoxysilylpentan-2-one has a molecular weight of 206.31 g/mol, XLogP of 1.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-trimethoxysilylpentan-2-one is sourced from PubChem (CID 87508337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).