6-ethyl-3-methoxy-2,2-dimethyldecan-4-one

C15H30O2 — CID 116709605

IUPAC6-ethyl-3-methoxy-2,2-dimethyldecan-4-one
SMILESCCCCC(CC)CC(=O)C(OC)C(C)(C)C
InChIInChI=1S/C15H30O2/c1-7-9-10-12(8-2)11-13(16)14(17-6)15(3,4)5/h12,14H,7-11H2,1-6H3
InChIKeyFYQUASMOKXXDFO-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.22
Rot. Bonds8

About 6-ethyl-3-methoxy-2,2-dimethyldecan-4-one

6-ethyl-3-methoxy-2,2-dimethyldecan-4-one (PubChem CID 116709605) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 6-ethyl-3-methoxy-2,2-dimethyldecan-4-one.

Molecular Properties

Compound Name6-ethyl-3-methoxy-2,2-dimethyldecan-4-one
PubChem CID116709605
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name6-ethyl-3-methoxy-2,2-dimethyldecan-4-one
SMILESCCCCC(CC)CC(=O)C(OC)C(C)(C)C
InChIInChI=1S/C15H30O2/c1-7-9-10-12(8-2)11-13(16)14(17-6)15(3,4)5/h12,14H,7-11H2,1-6H3
InChIKeyFYQUASMOKXXDFO-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-3-methoxy-2,2-dimethyloctan-4-one
CID 116709581
tert-butyl 3-ethylheptanoate
CID 545580
5-ethyl-2-hydroxy-2-methylnonan-3-one
CID 103446069
methyl 4-ethyl-2-oxooctanoate
CID 87175100
6-ethyl-2,2-dimethyldecan-4-one
CID 63890637
3-ethylheptaneperoxoic acid
CID 54542102
(5R)-5-ethyl-2,2-dimethyldecan-3-one
CID 101155077
zinc bis(3-ethylheptanoate)
CID 159696376
bis(3-ethyloctanoic acid);nickel
CID 176656697
3-ethyloctanoic acid;neodymium
CID 174650378
methyl 3-ethyldecanoate
CID 154021576
5-ethyl-2-methyl-2-methylsulfonylnonan-3-one
CID 114963651

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methoxy-2,2-dimethyldecan-4-one?
The IUPAC name of 6-ethyl-3-methoxy-2,2-dimethyldecan-4-one (CID 116709605) is 6-ethyl-3-methoxy-2,2-dimethyldecan-4-one.
What is the SMILES notation for 6-ethyl-3-methoxy-2,2-dimethyldecan-4-one?
The canonical SMILES for 6-ethyl-3-methoxy-2,2-dimethyldecan-4-one is CCCCC(CC)CC(=O)C(OC)C(C)(C)C.
What is the InChIKey of 6-ethyl-3-methoxy-2,2-dimethyldecan-4-one?
The InChIKey is FYQUASMOKXXDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-7-9-10-12(8-2)11-13(16)14(17-6)15(3,4)5/h12,14H,7-11H2,1-6H3.
What are the key properties of 6-ethyl-3-methoxy-2,2-dimethyldecan-4-one?
6-ethyl-3-methoxy-2,2-dimethyldecan-4-one has a molecular weight of 242.40 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methoxy-2,2-dimethyldecan-4-one is sourced from PubChem (CID 116709605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).