3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanone

C13H20O3 — CID 102647051

IUPAC3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanone
SMILESCCOC1(C(=O)C2=CCCCO2)CCCC1
InChIInChI=1S/C13H20O3/c1-2-16-13(8-4-5-9-13)12(14)11-7-3-6-10-15-11/h7H,2-6,8-10H2,1H3
InChIKeyPGYBUGYBFJDTCM-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.60
Rot. Bonds4

About 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanone

3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanone (PubChem CID 102647051) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanone
PubChem CID102647051
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanone
SMILESCCOC1(C(=O)C2=CCCCO2)CCCC1
InChIInChI=1S/C13H20O3/c1-2-16-13(8-4-5-9-13)12(14)11-7-3-6-10-15-11/h7H,2-6,8-10H2,1H3
InChIKeyPGYBUGYBFJDTCM-UHFFFAOYSA-N
XLogP2.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-pyran-6-yl-(1-ethoxycycloheptyl)methanone
CID 102647062
2,3-dihydrofuran-5-yl-(1-methoxycyclobutyl)methanone
CID 102651113
3,4-dihydro-2H-pyran-6-yl-(1-methylcyclohexyl)methanone
CID 106829748
cyclohepten-1-yl-(4-ethoxyoxan-4-yl)methanone
CID 106652265
3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanone
CID 102646988
3,4-dihydro-2H-pyran-6-yl-(3-methylpyrrolidin-3-yl)methanone
CID 102648349
(1-ethoxycyclopentyl)-(5-methylthiophen-2-yl)methanone
CID 116747750
(1-ethoxycyclopentyl)-(furan-3-yl)methanone
CID 116747796
2,3-dihydro-1-benzofuran-5-yl-(1-ethoxycyclohexyl)methanone
CID 116748355
2-(1-aminocyclobutyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648423
(1-ethoxycyclohexyl)-(4-methylphenyl)methanone
CID 116748478
1-(3,4-dihydro-2H-pyran-6-yl)-3-ethyl-2-hydroxypentan-1-one
CID 103458414

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanone (CID 102647051) is 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanone is CCOC1(C(=O)C2=CCCCO2)CCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanone?
The InChIKey is PGYBUGYBFJDTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-2-16-13(8-4-5-9-13)12(14)11-7-3-6-10-15-11/h7H,2-6,8-10H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanone?
3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanone has a molecular weight of 224.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanone is sourced from PubChem (CID 102647051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).