6-ethyl-3-methoxy-3-methyloctan-4-one

C12H24O2 — CID 116746584

IUPAC6-ethyl-3-methoxy-3-methyloctan-4-one
SMILESCCC(CC)CC(=O)C(C)(CC)OC
InChIInChI=1S/C12H24O2/c1-6-10(7-2)9-11(13)12(4,8-3)14-5/h10H,6-9H2,1-5H3
InChIKeyNOJFEEIVRGDARF-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.20
Rot. Bonds7

About 6-ethyl-3-methoxy-3-methyloctan-4-one

6-ethyl-3-methoxy-3-methyloctan-4-one (PubChem CID 116746584) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 6-ethyl-3-methoxy-3-methyloctan-4-one.

Molecular Properties

Compound Name6-ethyl-3-methoxy-3-methyloctan-4-one
PubChem CID116746584
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name6-ethyl-3-methoxy-3-methyloctan-4-one
SMILESCCC(CC)CC(=O)C(C)(CC)OC
InChIInChI=1S/C12H24O2/c1-6-10(7-2)9-11(13)12(4,8-3)14-5/h10H,6-9H2,1-5H3
InChIKeyNOJFEEIVRGDARF-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-diethyl-3-hydroxyoctan-4-one
CID 103447175
methyl 2-ethyl-4-methoxy-4-methyl-3-oxohexanoate
CID 116774833
6-ethyl-3-methoxy-2,2-dimethyloctan-4-one
CID 116709581
8,8,8-trifluoro-3-methoxy-3-methyloctan-4-one
CID 116746532
3-methoxy-3-methyl-1-phenylpentan-2-one
CID 116746653
6-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-one
CID 82920402
4-ethyl-1,1-dimethoxyhexan-2-one
CID 82920405
1-(3,5-dimethylphenyl)-3-methoxy-3-methylpentan-2-one
CID 116746640
(NE)-N-(3-methoxy-3-methylpentan-2-ylidene)hydroxylamine
CID 10606878
N-(2-amino-3-ethylpentyl)-2-methoxy-2-methylbutanamide
CID 106285954
methyl 4-methoxy-4-methyl-3-oxo-2-propan-2-ylhexanoate
CID 116774830
N-ethyl-3-methoxy-3-methylpentan-2-imine
CID 146600156

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methoxy-3-methyloctan-4-one?
The IUPAC name of 6-ethyl-3-methoxy-3-methyloctan-4-one (CID 116746584) is 6-ethyl-3-methoxy-3-methyloctan-4-one.
What is the SMILES notation for 6-ethyl-3-methoxy-3-methyloctan-4-one?
The canonical SMILES for 6-ethyl-3-methoxy-3-methyloctan-4-one is CCC(CC)CC(=O)C(C)(CC)OC.
What is the InChIKey of 6-ethyl-3-methoxy-3-methyloctan-4-one?
The InChIKey is NOJFEEIVRGDARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-6-10(7-2)9-11(13)12(4,8-3)14-5/h10H,6-9H2,1-5H3.
What are the key properties of 6-ethyl-3-methoxy-3-methyloctan-4-one?
6-ethyl-3-methoxy-3-methyloctan-4-one has a molecular weight of 200.32 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methoxy-3-methyloctan-4-one is sourced from PubChem (CID 116746584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).