4-ethyl-7-methyl-3-trimethylsilyloctan-2-one

C14H30OSi — CID 174887249

IUPAC4-ethyl-7-methyl-3-trimethylsilyloctan-2-one
SMILESCCC(CCC(C)C)C(C(C)=O)[Si](C)(C)C
InChIInChI=1S/C14H30OSi/c1-8-13(10-9-11(2)3)14(12(4)15)16(5,6)7/h11,13-14H,8-10H2,1-7H3
InChIKeyVOTVHTWUPRDMKJ-UHFFFAOYSA-N
MW242.48 g/mol
LogP4.75
Rot. Bonds7

About 4-ethyl-7-methyl-3-trimethylsilyloctan-2-one

4-ethyl-7-methyl-3-trimethylsilyloctan-2-one (PubChem CID 174887249) has the molecular formula C14H30OSi and a molecular weight of 242.48 g/mol. Its IUPAC name is 4-ethyl-7-methyl-3-trimethylsilyloctan-2-one.

Molecular Properties

Compound Name4-ethyl-7-methyl-3-trimethylsilyloctan-2-one
PubChem CID174887249
Molecular FormulaC14H30OSi
Molecular Weight242.48 g/mol
Exact Mass242.21
IUPAC Name4-ethyl-7-methyl-3-trimethylsilyloctan-2-one
SMILESCCC(CCC(C)C)C(C(C)=O)[Si](C)(C)C
InChIInChI=1S/C14H30OSi/c1-8-13(10-9-11(2)3)14(12(4)15)16(5,6)7/h11,13-14H,8-10H2,1-7H3
InChIKeyVOTVHTWUPRDMKJ-UHFFFAOYSA-N
XLogP4.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.48
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-ethyl-7-methyl-3-trimethylsilyloctan-2-one?
The IUPAC name of 4-ethyl-7-methyl-3-trimethylsilyloctan-2-one (CID 174887249) is 4-ethyl-7-methyl-3-trimethylsilyloctan-2-one.
What is the SMILES notation for 4-ethyl-7-methyl-3-trimethylsilyloctan-2-one?
The canonical SMILES for 4-ethyl-7-methyl-3-trimethylsilyloctan-2-one is CCC(CCC(C)C)C(C(C)=O)[Si](C)(C)C.
What is the InChIKey of 4-ethyl-7-methyl-3-trimethylsilyloctan-2-one?
The InChIKey is VOTVHTWUPRDMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30OSi/c1-8-13(10-9-11(2)3)14(12(4)15)16(5,6)7/h11,13-14H,8-10H2,1-7H3.
What are the key properties of 4-ethyl-7-methyl-3-trimethylsilyloctan-2-one?
4-ethyl-7-methyl-3-trimethylsilyloctan-2-one has a molecular weight of 242.48 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-methyl-3-trimethylsilyloctan-2-one is sourced from PubChem (CID 174887249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).