1-trimethoxysilylpentane-2,4-dione

C8H16O5Si — CID 87593771

IUPAC1-trimethoxysilylpentane-2,4-dione
SMILESCO[Si](CC(=O)CC(C)=O)(OC)OC
InChIInChI=1S/C8H16O5Si/c1-7(9)5-8(10)6-14(11-2,12-3)13-4/h5-6H2,1-4H3
InChIKeyDTBQVECIXHYHFK-UHFFFAOYSA-N
MW220.30 g/mol
LogP0.41
Rot. Bonds7

About 1-trimethoxysilylpentane-2,4-dione

1-trimethoxysilylpentane-2,4-dione (PubChem CID 87593771) has the molecular formula C8H16O5Si and a molecular weight of 220.30 g/mol. Its IUPAC name is 1-trimethoxysilylpentane-2,4-dione.

Molecular Properties

Compound Name1-trimethoxysilylpentane-2,4-dione
PubChem CID87593771
Molecular FormulaC8H16O5Si
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name1-trimethoxysilylpentane-2,4-dione
SMILESCO[Si](CC(=O)CC(C)=O)(OC)OC
InChIInChI=1S/C8H16O5Si/c1-7(9)5-8(10)6-14(11-2,12-3)13-4/h5-6H2,1-4H3
InChIKeyDTBQVECIXHYHFK-UHFFFAOYSA-N
XLogP0.41
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-trimethoxysilylpentane-2,4-dione?
The IUPAC name of 1-trimethoxysilylpentane-2,4-dione (CID 87593771) is 1-trimethoxysilylpentane-2,4-dione.
What is the SMILES notation for 1-trimethoxysilylpentane-2,4-dione?
The canonical SMILES for 1-trimethoxysilylpentane-2,4-dione is CO[Si](CC(=O)CC(C)=O)(OC)OC.
What is the InChIKey of 1-trimethoxysilylpentane-2,4-dione?
The InChIKey is DTBQVECIXHYHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5Si/c1-7(9)5-8(10)6-14(11-2,12-3)13-4/h5-6H2,1-4H3.
What are the key properties of 1-trimethoxysilylpentane-2,4-dione?
1-trimethoxysilylpentane-2,4-dione has a molecular weight of 220.30 g/mol, XLogP of 0.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethoxysilylpentane-2,4-dione is sourced from PubChem (CID 87593771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).