2,6-dimethyl-3-propoxyheptan-4-one

C12H24O2 — CID 59143560

IUPAC2,6-dimethyl-3-propoxyheptan-4-one
SMILESCCCOC(C(=O)CC(C)C)C(C)C
InChIInChI=1S/C12H24O2/c1-6-7-14-12(10(4)5)11(13)8-9(2)3/h9-10,12H,6-8H2,1-5H3
InChIKeyHJUPRWGMCYXNGQ-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.05
Rot. Bonds7

About 2,6-dimethyl-3-propoxyheptan-4-one

2,6-dimethyl-3-propoxyheptan-4-one (PubChem CID 59143560) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2,6-dimethyl-3-propoxyheptan-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-propoxyheptan-4-one
PubChem CID59143560
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2,6-dimethyl-3-propoxyheptan-4-one
SMILESCCCOC(C(=O)CC(C)C)C(C)C
InChIInChI=1S/C12H24O2/c1-6-7-14-12(10(4)5)11(13)8-9(2)3/h9-10,12H,6-8H2,1-5H3
InChIKeyHJUPRWGMCYXNGQ-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Ethoxy-4-methylpentan-2-one
CID 316620
3-Acetoxy-6-methyl-heptan-2-one
CID 22559389
3-Methoxy-5-methylhexan-2-one
CID 58962142
(2,5-Dimethyl-4-oxohexan-3-yl) acetate
CID 12442417
Isopentyl alpha-methoxyethyl ketone
CID 79617250
1,1,1-Trifluoro-5-methoxy-6-methylheptan-4-one
CID 116708352
5-Ethoxy-1,1,1-trifluoro-6-methylheptan-4-one
CID 116708652
2-Ethoxy-4-methylpentan-3-one
CID 12696420
2-Methyl-4-propan-2-yloxypentan-3-one
CID 12696425
2-Methyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-one
CID 12696426
4-Methoxy-2-methylhexan-3-one
CID 12696427
4-Methoxy-2,5-dimethylhexan-3-one
CID 12696428

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-propoxyheptan-4-one?
The IUPAC name of 2,6-dimethyl-3-propoxyheptan-4-one (CID 59143560) is 2,6-dimethyl-3-propoxyheptan-4-one.
What is the SMILES notation for 2,6-dimethyl-3-propoxyheptan-4-one?
The canonical SMILES for 2,6-dimethyl-3-propoxyheptan-4-one is CCCOC(C(=O)CC(C)C)C(C)C.
What is the InChIKey of 2,6-dimethyl-3-propoxyheptan-4-one?
The InChIKey is HJUPRWGMCYXNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-6-7-14-12(10(4)5)11(13)8-9(2)3/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 2,6-dimethyl-3-propoxyheptan-4-one?
2,6-dimethyl-3-propoxyheptan-4-one has a molecular weight of 200.32 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-propoxyheptan-4-one is sourced from PubChem (CID 59143560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).