5-[dimethoxy(propyl)silyl]nonane-4,6-dione

C14H28O4Si — CID 175720619

IUPAC5-[dimethoxy(propyl)silyl]nonane-4,6-dione
SMILESCCCC(=O)C(C(=O)CCC)[Si](CCC)(OC)OC
InChIInChI=1S/C14H28O4Si/c1-6-9-12(15)14(13(16)10-7-2)19(17-4,18-5)11-8-3/h14H,6-11H2,1-5H3
InChIKeyKMMLTQAFRXGCHE-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.24
Rot. Bonds11

About 5-[dimethoxy(propyl)silyl]nonane-4,6-dione

5-[dimethoxy(propyl)silyl]nonane-4,6-dione (PubChem CID 175720619) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is 5-[dimethoxy(propyl)silyl]nonane-4,6-dione.

Molecular Properties

Compound Name5-[dimethoxy(propyl)silyl]nonane-4,6-dione
PubChem CID175720619
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name5-[dimethoxy(propyl)silyl]nonane-4,6-dione
SMILESCCCC(=O)C(C(=O)CCC)[Si](CCC)(OC)OC
InChIInChI=1S/C14H28O4Si/c1-6-9-12(15)14(13(16)10-7-2)19(17-4,18-5)11-8-3/h14H,6-11H2,1-5H3
InChIKeyKMMLTQAFRXGCHE-UHFFFAOYSA-N
XLogP3.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.24
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

bis(3-[dimethoxy(propyl)silyl]-1,1,1,5,5,5-hexafluoropentane-2,4-dione);platinum(2+)
CID 175720703
bis(2-[butyl(dimethoxy)silyl]-1-phenylhexane-1,3-dione);platinum(2+)
CID 175720659
3-[ethyl(dimethoxy)silyl]octane-2,4-dione
CID 175720682
butan-2-yl-dimethoxy-propylsilane
CID 22616756
(ethoxy-methoxy-propylsilyl)methanediol
CID 18327161
CID 175543701
CID 175543701
alumane;methyl 2-butanoyl-3-oxohexanoate
CID 173089546
methyl 2,3-diethyl-4-oxoheptanoate
CID 142729976
diethyl 2-butanoylpropanedioate
CID 13467795
5-methoxynonan-4-one
CID 83225262
ethyl 2-amino-3-oxohexanoate
CID 11252792
4,6-dioxononan-5-yl acetate
CID 87584146

Frequently Asked Questions

What is the IUPAC name of 5-[dimethoxy(propyl)silyl]nonane-4,6-dione?
The IUPAC name of 5-[dimethoxy(propyl)silyl]nonane-4,6-dione (CID 175720619) is 5-[dimethoxy(propyl)silyl]nonane-4,6-dione.
What is the SMILES notation for 5-[dimethoxy(propyl)silyl]nonane-4,6-dione?
The canonical SMILES for 5-[dimethoxy(propyl)silyl]nonane-4,6-dione is CCCC(=O)C(C(=O)CCC)[Si](CCC)(OC)OC.
What is the InChIKey of 5-[dimethoxy(propyl)silyl]nonane-4,6-dione?
The InChIKey is KMMLTQAFRXGCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-6-9-12(15)14(13(16)10-7-2)19(17-4,18-5)11-8-3/h14H,6-11H2,1-5H3.
What are the key properties of 5-[dimethoxy(propyl)silyl]nonane-4,6-dione?
5-[dimethoxy(propyl)silyl]nonane-4,6-dione has a molecular weight of 288.46 g/mol, XLogP of 3.24, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[dimethoxy(propyl)silyl]nonane-4,6-dione is sourced from PubChem (CID 175720619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).