1-(2-ethyloxan-4-yl)butan-1-one

C11H20O2 — CID 83047852

IUPAC1-(2-ethyloxan-4-yl)butan-1-one
SMILESCCCC(=O)C1CCOC(CC)C1
InChIInChI=1S/C11H20O2/c1-3-5-11(12)9-6-7-13-10(4-2)8-9/h9-10H,3-8H2,1-2H3
InChIKeyLWRSFXSOMMUIOS-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.56
Rot. Bonds4

About 1-(2-ethyloxan-4-yl)butan-1-one

1-(2-ethyloxan-4-yl)butan-1-one (PubChem CID 83047852) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(2-ethyloxan-4-yl)butan-1-one.

Molecular Properties

Compound Name1-(2-ethyloxan-4-yl)butan-1-one
PubChem CID83047852
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(2-ethyloxan-4-yl)butan-1-one
SMILESCCCC(=O)C1CCOC(CC)C1
InChIInChI=1S/C11H20O2/c1-3-5-11(12)9-6-7-13-10(4-2)8-9/h9-10H,3-8H2,1-2H3
InChIKeyLWRSFXSOMMUIOS-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

1-(3-ethylcyclopentyl)butan-1-one
CID 65407371
(2S,4S)-2-propyloxane-4-carboxylic acid
CID 928523
(2S,4R)-2-propyloxane-4-carboxylic acid
CID 7076362
2-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)oxane-4-carboxamide
CID 136521957
1-(4-butanoylcyclohexyl)butan-1-one
CID 21294983
butane;2-ethyloxan-4-ol
CID 156818442
1-[(2R,3S)-3-aminooxolan-2-yl]butan-1-one
CID 165467481
1-(3-aminooxolan-2-yl)butan-1-one
CID 165462548
1-(4-hydroxycyclohexyl)butan-1-one
CID 116920125
1-(3-aminocyclopentyl)butan-1-one
CID 116587099
2-[(2S,4S)-2-ethyloxan-4-yl]acetic acid
CID 95335801
1-cycloheptylbutan-1-one
CID 54353743

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyloxan-4-yl)butan-1-one?
The IUPAC name of 1-(2-ethyloxan-4-yl)butan-1-one (CID 83047852) is 1-(2-ethyloxan-4-yl)butan-1-one.
What is the SMILES notation for 1-(2-ethyloxan-4-yl)butan-1-one?
The canonical SMILES for 1-(2-ethyloxan-4-yl)butan-1-one is CCCC(=O)C1CCOC(CC)C1.
What is the InChIKey of 1-(2-ethyloxan-4-yl)butan-1-one?
The InChIKey is LWRSFXSOMMUIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-5-11(12)9-6-7-13-10(4-2)8-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-(2-ethyloxan-4-yl)butan-1-one?
1-(2-ethyloxan-4-yl)butan-1-one has a molecular weight of 184.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyloxan-4-yl)butan-1-one is sourced from PubChem (CID 83047852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).