(4R)-4-(2-ethoxyethyl)cyclopent-2-en-1-one

C9H14O2 — CID 139802297

IUPAC(4R)-4-(2-ethoxyethyl)cyclopent-2-en-1-one
SMILESCCOCC[C@H]1C=CC(=O)C1
InChIInChI=1S/C9H14O2/c1-2-11-6-5-8-3-4-9(10)7-8/h3-4,8H,2,5-7H2,1H3/t8-/m1/s1
InChIKeyMAFKIYSIELPCLE-MRVPVSSYSA-N
MW154.21 g/mol
LogP1.56
Rot. Bonds4

About (4R)-4-(2-ethoxyethyl)cyclopent-2-en-1-one

(4R)-4-(2-ethoxyethyl)cyclopent-2-en-1-one (PubChem CID 139802297) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (4R)-4-(2-ethoxyethyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-(2-ethoxyethyl)cyclopent-2-en-1-one
PubChem CID139802297
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(4R)-4-(2-ethoxyethyl)cyclopent-2-en-1-one
SMILESCCOCC[C@H]1C=CC(=O)C1
InChIInChI=1S/C9H14O2/c1-2-11-6-5-8-3-4-9(10)7-8/h3-4,8H,2,5-7H2,1H3/t8-/m1/s1
InChIKeyMAFKIYSIELPCLE-MRVPVSSYSA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Oxaspiro[5.5]undec-9-en-8-one
CID 57023690
propan-2-yl 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate
CID 70681997
ethyl 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate
CID 70684113
propyl 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate
CID 70684114
butyl 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate
CID 70686255
pentyl 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate
CID 70694615
2-Cyclohexen-1-one, 3-ethoxy-5-methyl-
CID 10855691
5-(2-Acetoxyethyl)-6,6-dimethylcyclohex-2-enone
CID 19017389
5-(2-Methoxyethyl)-6,6-dimethylcyclohex-2-enone
CID 21580131
5-(2-Methoxyethyl)-4,4-dimethylcyclohex-2-enone
CID 21580139
(5R)-3-methoxy-5-propylcyclopent-2-en-1-one
CID 135080642
3-Methoxy-5-methylcyclohex-2-en-1-one
CID 12641265

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-ethoxyethyl)cyclopent-2-en-1-one?
The IUPAC name of (4R)-4-(2-ethoxyethyl)cyclopent-2-en-1-one (CID 139802297) is (4R)-4-(2-ethoxyethyl)cyclopent-2-en-1-one.
What is the SMILES notation for (4R)-4-(2-ethoxyethyl)cyclopent-2-en-1-one?
The canonical SMILES for (4R)-4-(2-ethoxyethyl)cyclopent-2-en-1-one is CCOCC[C@H]1C=CC(=O)C1.
What is the InChIKey of (4R)-4-(2-ethoxyethyl)cyclopent-2-en-1-one?
The InChIKey is MAFKIYSIELPCLE-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-11-6-5-8-3-4-9(10)7-8/h3-4,8H,2,5-7H2,1H3/t8-/m1/s1.
What are the key properties of (4R)-4-(2-ethoxyethyl)cyclopent-2-en-1-one?
(4R)-4-(2-ethoxyethyl)cyclopent-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-ethoxyethyl)cyclopent-2-en-1-one is sourced from PubChem (CID 139802297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).