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

C12H18O3 — CID 103558938

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)C2=COCCC2)CCC1
InChIInChI=1S/C12H18O3/c1-14-12(5-3-6-12)8-11(13)10-4-2-7-15-9-10/h9H,2-8H2,1H3
InChIKeyDRHPHDGRFGLIBR-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.21
Rot. Bonds4

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

1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanone (PubChem CID 103558938) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanone
PubChem CID103558938
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)C2=COCCC2)CCC1
InChIInChI=1S/C12H18O3/c1-14-12(5-3-6-12)8-11(13)10-4-2-7-15-9-10/h9H,2-8H2,1H3
InChIKeyDRHPHDGRFGLIBR-UHFFFAOYSA-N
XLogP2.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.21
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
2-Cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090573
2-Butyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090578
(2S,3R)-2-butyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090579
4H-Pyran-4-one, 5-acetyl-2,3-dihydro-2,2-dimethyl-
CID 15534787
(2S,3S)-3,5-dimethyl-2-pentyl-2,3-dihydropyran-4-one
CID 101240152
1-(2,5-Diethyl-3,4-dihydropyran-2-yl)propan-2-one
CID 20314076
(2S,3R)-2-cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090574
(2S,3S)-2-butyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090580
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
2-hexyl-2-methyl-3H-pyran-4-one
CID 64105148

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanone (CID 103558938) is 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanone is COC1(CC(=O)C2=COCCC2)CCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanone?
The InChIKey is DRHPHDGRFGLIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-14-12(5-3-6-12)8-11(13)10-4-2-7-15-9-10/h9H,2-8H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanone?
1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanone has a molecular weight of 210.27 g/mol, XLogP of 2.21, 4 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-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 103558938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).