4-ethyl-1-propan-2-yloxyhexan-2-one

C11H22O2 — CID 105125435

IUPAC4-ethyl-1-propan-2-yloxyhexan-2-one
SMILESCCC(CC)CC(=O)COC(C)C
InChIInChI=1S/C11H22O2/c1-5-10(6-2)7-11(12)8-13-9(3)4/h9-10H,5-8H2,1-4H3
InChIKeyVGJABBLCJBWRKM-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.81
Rot. Bonds7

About 4-ethyl-1-propan-2-yloxyhexan-2-one

4-ethyl-1-propan-2-yloxyhexan-2-one (PubChem CID 105125435) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 4-ethyl-1-propan-2-yloxyhexan-2-one.

Molecular Properties

Compound Name4-ethyl-1-propan-2-yloxyhexan-2-one
PubChem CID105125435
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name4-ethyl-1-propan-2-yloxyhexan-2-one
SMILESCCC(CC)CC(=O)COC(C)C
InChIInChI=1S/C11H22O2/c1-5-10(6-2)7-11(12)8-13-9(3)4/h9-10H,5-8H2,1-4H3
InChIKeyVGJABBLCJBWRKM-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-1-propan-2-yloxyhexan-2-one
CID 116596211
4-amino-1-propan-2-yloxypentan-2-one
CID 116555847
4-amino-5,5-dimethyl-1-propan-2-yloxyhexan-2-one
CID 116608413
1-(dimethylamino)-3-propan-2-yloxypropan-2-one
CID 79567997
4-ethyl-1,1-dimethoxyhexan-2-one
CID 82920405
4,4,4-trifluoro-1-propan-2-yloxybutan-2-one
CID 79568383
1-methylsulfonyl-3-propan-2-yloxypropan-2-one
CID 115785118
3-methoxy-1-propan-2-yloxypentan-2-one
CID 116707377
ethyl 2-propan-2-yloxyacetate
CID 537908
5-ethyl-1-propoxyheptan-3-one
CID 105125394
1-methoxy-4-methylhexan-2-one
CID 62619896
tert-butyl 3-oxo-4-propan-2-yloxybutanoate
CID 57444543

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-propan-2-yloxyhexan-2-one?
The IUPAC name of 4-ethyl-1-propan-2-yloxyhexan-2-one (CID 105125435) is 4-ethyl-1-propan-2-yloxyhexan-2-one.
What is the SMILES notation for 4-ethyl-1-propan-2-yloxyhexan-2-one?
The canonical SMILES for 4-ethyl-1-propan-2-yloxyhexan-2-one is CCC(CC)CC(=O)COC(C)C.
What is the InChIKey of 4-ethyl-1-propan-2-yloxyhexan-2-one?
The InChIKey is VGJABBLCJBWRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-5-10(6-2)7-11(12)8-13-9(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 4-ethyl-1-propan-2-yloxyhexan-2-one?
4-ethyl-1-propan-2-yloxyhexan-2-one has a molecular weight of 186.29 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-propan-2-yloxyhexan-2-one is sourced from PubChem (CID 105125435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).