hexane-2,4-dione;triethoxysilane

C12H26O5Si — CID 175224475

IUPAChexane-2,4-dione;triethoxysilane
SMILESCCC(=O)CC(C)=O.CCO[SiH](OCC)OCC
InChIInChI=1S/C6H16O3Si.C6H10O2/c1-4-7-10(8-5-2)9-6-3;1-3-6(8)4-5(2)7/h10H,4-6H2,1-3H3;3-4H2,1-2H3
InChIKeyDFJUTDMGVBPPMY-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.76
Rot. Bonds9

About hexane-2,4-dione;triethoxysilane

hexane-2,4-dione;triethoxysilane (PubChem CID 175224475) has the molecular formula C12H26O5Si and a molecular weight of 278.42 g/mol. Its IUPAC name is hexane-2,4-dione;triethoxysilane.

Molecular Properties

Compound Namehexane-2,4-dione;triethoxysilane
PubChem CID175224475
Molecular FormulaC12H26O5Si
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Namehexane-2,4-dione;triethoxysilane
SMILESCCC(=O)CC(C)=O.CCO[SiH](OCC)OCC
InChIInChI=1S/C6H16O3Si.C6H10O2/c1-4-7-10(8-5-2)9-6-3;1-3-6(8)4-5(2)7/h10H,4-6H2,1-3H3;3-4H2,1-2H3
InChIKeyDFJUTDMGVBPPMY-UHFFFAOYSA-N
XLogP1.76
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.76
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of hexane-2,4-dione;triethoxysilane?
The IUPAC name of hexane-2,4-dione;triethoxysilane (CID 175224475) is hexane-2,4-dione;triethoxysilane.
What is the SMILES notation for hexane-2,4-dione;triethoxysilane?
The canonical SMILES for hexane-2,4-dione;triethoxysilane is CCC(=O)CC(C)=O.CCO[SiH](OCC)OCC.
What is the InChIKey of hexane-2,4-dione;triethoxysilane?
The InChIKey is DFJUTDMGVBPPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O3Si.C6H10O2/c1-4-7-10(8-5-2)9-6-3;1-3-6(8)4-5(2)7/h10H,4-6H2,1-3H3;3-4H2,1-2H3.
What are the key properties of hexane-2,4-dione;triethoxysilane?
hexane-2,4-dione;triethoxysilane has a molecular weight of 278.42 g/mol, XLogP of 1.76, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-2,4-dione;triethoxysilane is sourced from PubChem (CID 175224475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).