1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanone

C13H20O3 — CID 103168065

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)C2=COCCC2)C1
InChIInChI=1S/C13H20O3/c1-2-16-12-6-10(7-12)8-13(14)11-4-3-5-15-9-11/h9-10,12H,2-8H2,1H3
InChIKeyFUHIDDVSDBRUHM-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.45
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanone

1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanone (PubChem CID 103168065) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanone
PubChem CID103168065
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)C2=COCCC2)C1
InChIInChI=1S/C13H20O3/c1-2-16-12-6-10(7-12)8-13(14)11-4-3-5-15-9-11/h9-10,12H,2-8H2,1H3
InChIKeyFUHIDDVSDBRUHM-UHFFFAOYSA-N
XLogP2.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethyl-2-pentyl-2,3-dihydropyran-4-one
CID 13081492
(2S,3S)-3,5-dimethyl-2-pentyl-2,3-dihydropyran-4-one
CID 101240152
2-Methyl-5-(oxan-4-yl)pent-1-en-3-one
CID 157267218
2-(1-Ethoxypropan-2-yl)-3,5-dimethyl-2,3-dihydropyran-4-one
CID 21718470
2-(1-Methoxypropan-2-yl)-3,5-dimethyl-2,3-dihydropyran-4-one
CID 21719300
1-(Cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103162466
1-(Cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103162468
1-(3-Ethoxycyclobutyl)pent-4-en-2-one
CID 103167739
1-(3-Ethoxycyclobutyl)hept-6-en-2-one
CID 103167874
1-(3-Ethoxycyclobutyl)hex-5-en-2-one
CID 103167876
1-(3-Ethoxycyclobutyl)-4-methylpent-4-en-2-one
CID 103167947
1-(3-Ethoxycyclobutyl)-3-methylbut-3-en-2-one
CID 103167951

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanone (CID 103168065) is 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanone is CCOC1CC(CC(=O)C2=COCCC2)C1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanone?
The InChIKey is FUHIDDVSDBRUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-2-16-12-6-10(7-12)8-13(14)11-4-3-5-15-9-11/h9-10,12H,2-8H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanone?
1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanone has a molecular weight of 224.30 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanone is sourced from PubChem (CID 103168065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).