3-[ethyl(dimethoxy)silyl]octane-2,4-dione

C12H24O4Si — CID 175720682

IUPAC3-[ethyl(dimethoxy)silyl]octane-2,4-dione
SMILESCCCCC(=O)C(C(C)=O)[Si](CC)(OC)OC
InChIInChI=1S/C12H24O4Si/c1-6-8-9-11(14)12(10(3)13)17(7-2,15-4)16-5/h12H,6-9H2,1-5H3
InChIKeyNBACYMTWMVMPGX-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.46
Rot. Bonds9

About 3-[ethyl(dimethoxy)silyl]octane-2,4-dione

3-[ethyl(dimethoxy)silyl]octane-2,4-dione (PubChem CID 175720682) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 3-[ethyl(dimethoxy)silyl]octane-2,4-dione.

Molecular Properties

Compound Name3-[ethyl(dimethoxy)silyl]octane-2,4-dione
PubChem CID175720682
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name3-[ethyl(dimethoxy)silyl]octane-2,4-dione
SMILESCCCCC(=O)C(C(C)=O)[Si](CC)(OC)OC
InChIInChI=1S/C12H24O4Si/c1-6-8-9-11(14)12(10(3)13)17(7-2,15-4)16-5/h12H,6-9H2,1-5H3
InChIKeyNBACYMTWMVMPGX-UHFFFAOYSA-N
XLogP2.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-propylnonan-5-one
CID 19931333
2-[butyl(dimethoxy)silyl]-1-phenylbutane-1,3-dione
CID 175720715
methyl 2-acetyl-3-oxooctanoate
CID 10976817
1,1-diiodohexan-2-one
CID 12616826
2-methylheptan-3-one;hydrate
CID 176897102
bis(2-[butyl(dimethoxy)silyl]-1-phenylhexane-1,3-dione);platinum(2+)
CID 175720659
(3S)-3-methylnonane-2,4-dione
CID 76962575
2-methyl-3-oxoheptanal
CID 89327816
3-methylbutan-2-one;tris(2-methylheptan-3-one);2-methylhexan-3-one;2-methylpentan-3-one
CID 159112231
(3Z)-3-(2,2-dimethoxyethylidene)heptan-2-one
CID 87458254
2-dimethoxyphosphorylheptan-3-one
CID 57262784
1,1-dimethoxyoctadecan-2-one
CID 54059971

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(dimethoxy)silyl]octane-2,4-dione?
The IUPAC name of 3-[ethyl(dimethoxy)silyl]octane-2,4-dione (CID 175720682) is 3-[ethyl(dimethoxy)silyl]octane-2,4-dione.
What is the SMILES notation for 3-[ethyl(dimethoxy)silyl]octane-2,4-dione?
The canonical SMILES for 3-[ethyl(dimethoxy)silyl]octane-2,4-dione is CCCCC(=O)C(C(C)=O)[Si](CC)(OC)OC.
What is the InChIKey of 3-[ethyl(dimethoxy)silyl]octane-2,4-dione?
The InChIKey is NBACYMTWMVMPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-6-8-9-11(14)12(10(3)13)17(7-2,15-4)16-5/h12H,6-9H2,1-5H3.
What are the key properties of 3-[ethyl(dimethoxy)silyl]octane-2,4-dione?
3-[ethyl(dimethoxy)silyl]octane-2,4-dione has a molecular weight of 260.41 g/mol, XLogP of 2.46, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(dimethoxy)silyl]octane-2,4-dione is sourced from PubChem (CID 175720682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).