1-cyclopropyl-4-ethoxyhexan-3-one

C11H20O2 — CID 116707506

IUPAC1-cyclopropyl-4-ethoxyhexan-3-one
SMILESCCOC(CC)C(=O)CCC1CC1
InChIInChI=1S/C11H20O2/c1-3-11(13-4-2)10(12)8-7-9-5-6-9/h9,11H,3-8H2,1-2H3
InChIKeyUOTATXOHXOQBFD-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.56
Rot. Bonds7

About 1-cyclopropyl-4-ethoxyhexan-3-one

1-cyclopropyl-4-ethoxyhexan-3-one (PubChem CID 116707506) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-cyclopropyl-4-ethoxyhexan-3-one.

Molecular Properties

Compound Name1-cyclopropyl-4-ethoxyhexan-3-one
PubChem CID116707506
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-cyclopropyl-4-ethoxyhexan-3-one
SMILESCCOC(CC)C(=O)CCC1CC1
InChIInChI=1S/C11H20O2/c1-3-11(13-4-2)10(12)8-7-9-5-6-9/h9,11H,3-8H2,1-2H3
InChIKeyUOTATXOHXOQBFD-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-cyclopropyl-5-methylheptan-3-one
CID 116552846
1-cyclopropyl-4-propylheptan-3-one
CID 114978233
1-cyclopropyl-3-ethoxyhexan-2-one
CID 116707889
1-cyclopropyl-4-hydroxy-5,5-dimethylhexan-3-one
CID 103456307
1-cyclohexyl-4-methylhexan-3-one
CID 115787943
4-methyl-1-(4-propan-2-ylcyclohexyl)pentan-3-one;sulfane
CID 177028159
2-ethoxybutanoyl 2-ethoxybutanoate
CID 87083983
2-ethoxybutanoate
CID 21321797
3-ethoxy-1-phenylpentan-2-one
CID 116707454
1-(4-propan-2-ylcyclohexyl)pentan-3-one
CID 155707148
3-ethoxy-1-propoxypentan-2-one
CID 116707576
methyl 3-[4-(2,2-diethoxyethylamino)cyclohexyl]propanoate
CID 15816910

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-ethoxyhexan-3-one?
The IUPAC name of 1-cyclopropyl-4-ethoxyhexan-3-one (CID 116707506) is 1-cyclopropyl-4-ethoxyhexan-3-one.
What is the SMILES notation for 1-cyclopropyl-4-ethoxyhexan-3-one?
The canonical SMILES for 1-cyclopropyl-4-ethoxyhexan-3-one is CCOC(CC)C(=O)CCC1CC1.
What is the InChIKey of 1-cyclopropyl-4-ethoxyhexan-3-one?
The InChIKey is UOTATXOHXOQBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-11(13-4-2)10(12)8-7-9-5-6-9/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-ethoxyhexan-3-one?
1-cyclopropyl-4-ethoxyhexan-3-one has a molecular weight of 184.28 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-ethoxyhexan-3-one is sourced from PubChem (CID 116707506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).