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

C13H26O2 — CID 116709581

IUPAC6-ethyl-3-methoxy-2,2-dimethyloctan-4-one
SMILESCCC(CC)CC(=O)C(OC)C(C)(C)C
InChIInChI=1S/C13H26O2/c1-7-10(8-2)9-11(14)12(15-6)13(3,4)5/h10,12H,7-9H2,1-6H3
InChIKeyHEYKVLVRWXMTBL-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.44
Rot. Bonds6

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

6-ethyl-3-methoxy-2,2-dimethyloctan-4-one (PubChem CID 116709581) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 6-ethyl-3-methoxy-2,2-dimethyloctan-4-one.

Molecular Properties

Compound Name6-ethyl-3-methoxy-2,2-dimethyloctan-4-one
PubChem CID116709581
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name6-ethyl-3-methoxy-2,2-dimethyloctan-4-one
SMILESCCC(CC)CC(=O)C(OC)C(C)(C)C
InChIInChI=1S/C13H26O2/c1-7-10(8-2)9-11(14)12(15-6)13(3,4)5/h10,12H,7-9H2,1-6H3
InChIKeyHEYKVLVRWXMTBL-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Isopentyl alpha-methoxyethyl ketone
CID 79617250
8,8,8-Trifluoro-3-methoxy-2-methyloctan-4-one
CID 116708342
8,8,8-Trifluoro-3-methoxy-2,2-dimethyloctan-4-one
CID 116709527
3-Ethoxy-8,8,8-trifluoro-2,2-dimethyloctan-4-one
CID 116709826
2-Methoxy-6,6-dimethyl-3,5-heptanedione
CID 24987127
2-Methoxy-6-methylheptane-3,5-dione
CID 24987130
3-Methoxy-6-methylheptan-2-one
CID 50994793
1-Methoxy-3-methylhexan-2-one
CID 55270107
1-Methoxy-3,6,6-trimethyloctane-2,5-dione
CID 57634568
(2R)-2-methoxy-5,5-dimethylcyclohexan-1-one
CID 58776145
2,7,7-Trimethyl-5-propoxyoctan-4-one
CID 59143480
1-Cyclobutyl-2-ethoxy-5,5-dimethylhexan-3-one
CID 59143492

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methoxy-2,2-dimethyloctan-4-one?
The IUPAC name of 6-ethyl-3-methoxy-2,2-dimethyloctan-4-one (CID 116709581) is 6-ethyl-3-methoxy-2,2-dimethyloctan-4-one.
What is the SMILES notation for 6-ethyl-3-methoxy-2,2-dimethyloctan-4-one?
The canonical SMILES for 6-ethyl-3-methoxy-2,2-dimethyloctan-4-one is CCC(CC)CC(=O)C(OC)C(C)(C)C.
What is the InChIKey of 6-ethyl-3-methoxy-2,2-dimethyloctan-4-one?
The InChIKey is HEYKVLVRWXMTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-7-10(8-2)9-11(14)12(15-6)13(3,4)5/h10,12H,7-9H2,1-6H3.
What are the key properties of 6-ethyl-3-methoxy-2,2-dimethyloctan-4-one?
6-ethyl-3-methoxy-2,2-dimethyloctan-4-one has a molecular weight of 214.35 g/mol, XLogP of 3.44, 6 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-dimethyloctan-4-one is sourced from PubChem (CID 116709581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).