3-(2-ethoxypropyl)cyclopent-2-en-1-one

C10H16O2 — CID 21026585

IUPAC3-(2-ethoxypropyl)cyclopent-2-en-1-one
SMILESCCOC(C)CC1=CC(=O)CC1
InChIInChI=1S/C10H16O2/c1-3-12-8(2)6-9-4-5-10(11)7-9/h7-8H,3-6H2,1-2H3
InChIKeyIECVFWRJHMWZAZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.09
Rot. Bonds4

About 3-(2-ethoxypropyl)cyclopent-2-en-1-one

3-(2-ethoxypropyl)cyclopent-2-en-1-one (PubChem CID 21026585) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(2-ethoxypropyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(2-ethoxypropyl)cyclopent-2-en-1-one
PubChem CID21026585
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-(2-ethoxypropyl)cyclopent-2-en-1-one
SMILESCCOC(C)CC1=CC(=O)CC1
InChIInChI=1S/C10H16O2/c1-3-12-8(2)6-9-4-5-10(11)7-9/h7-8H,3-6H2,1-2H3
InChIKeyIECVFWRJHMWZAZ-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 529383
3(2H)-Furanone, 2-hexyl-5-methyl-
CID 566912
1-Cyclohexene-1-acetic acid, 1-methylethyl ester
CID 175572
Methyl 5-oxocyclopent-1-ene-1-heptanoate
CID 2777884
3-(3-Oxo-cyclopent-1-enyl)-propionic acid methyl ester
CID 11182843
Ethyl 5-oxocyclopent-1-ene-1-heptanoate
CID 15573491
(2R)-2-hexyl-5-methylfuran-3-one
CID 162906851
(2R)-5-methyl-2-octylfuran-3-one
CID 162966106
Ethyl 2-(3-oxocyclohexen-1-yl)acetate
CID 12372536
Ethyl 2-(3-oxocyclopenten-1-yl)acetate
CID 14612268
1-(5-Butyl-2-methyl-4,5-dihydrofuran-3-yl)ethan-1-one
CID 12815036
Ethyl 3-(3-oxocyclopenten-1-yl)propanoate
CID 14175309

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxypropyl)cyclopent-2-en-1-one?
The IUPAC name of 3-(2-ethoxypropyl)cyclopent-2-en-1-one (CID 21026585) is 3-(2-ethoxypropyl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(2-ethoxypropyl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(2-ethoxypropyl)cyclopent-2-en-1-one is CCOC(C)CC1=CC(=O)CC1.
What is the InChIKey of 3-(2-ethoxypropyl)cyclopent-2-en-1-one?
The InChIKey is IECVFWRJHMWZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-12-8(2)6-9-4-5-10(11)7-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-(2-ethoxypropyl)cyclopent-2-en-1-one?
3-(2-ethoxypropyl)cyclopent-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxypropyl)cyclopent-2-en-1-one is sourced from PubChem (CID 21026585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).