3-[3-(2-methoxyethoxy)propyl]cyclopent-2-en-1-one

C11H18O3 — CID 103413630

IUPAC3-[3-(2-methoxyethoxy)propyl]cyclopent-2-en-1-one
SMILESCOCCOCCCC1=CC(=O)CC1
InChIInChI=1S/C11H18O3/c1-13-7-8-14-6-2-3-10-4-5-11(12)9-10/h9H,2-8H2,1H3
InChIKeyUCJHSUTWQXHHIM-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.72
Rot. Bonds7

About 3-[3-(2-methoxyethoxy)propyl]cyclopent-2-en-1-one

3-[3-(2-methoxyethoxy)propyl]cyclopent-2-en-1-one (PubChem CID 103413630) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxy)propyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxy)propyl]cyclopent-2-en-1-one
PubChem CID103413630
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name3-[3-(2-methoxyethoxy)propyl]cyclopent-2-en-1-one
SMILESCOCCOCCCC1=CC(=O)CC1
InChIInChI=1S/C11H18O3/c1-13-7-8-14-6-2-3-10-4-5-11(12)9-10/h9H,2-8H2,1H3
InChIKeyUCJHSUTWQXHHIM-UHFFFAOYSA-N
XLogP1.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(propoxymethyl)cyclopent-2-en-1-one
CID 79570380
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
cyclohexanone;1-methoxy-2-(2-methoxyethoxy)ethane
CID 174822719
1,8-bis(2-methoxyethoxy)octane
CID 143118909
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
4-(3-oxocyclohexen-1-yl)butyl methanesulfonate
CID 15566370
2-[3-[2-(2-methoxyethoxy)ethoxy]propyl]naphthalene-1,4-dione
CID 159661269
N-[2-(cyclopenten-1-yl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 106174186
benzene;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 19879698
1-(2-butoxyethoxy)butane;2-methoxyethyl acetate
CID 90456855

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethoxy)propyl]cyclopent-2-en-1-one?
The IUPAC name of 3-[3-(2-methoxyethoxy)propyl]cyclopent-2-en-1-one (CID 103413630) is 3-[3-(2-methoxyethoxy)propyl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[3-(2-methoxyethoxy)propyl]cyclopent-2-en-1-one?
The canonical SMILES for 3-[3-(2-methoxyethoxy)propyl]cyclopent-2-en-1-one is COCCOCCCC1=CC(=O)CC1.
What is the InChIKey of 3-[3-(2-methoxyethoxy)propyl]cyclopent-2-en-1-one?
The InChIKey is UCJHSUTWQXHHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-13-7-8-14-6-2-3-10-4-5-11(12)9-10/h9H,2-8H2,1H3.
What are the key properties of 3-[3-(2-methoxyethoxy)propyl]cyclopent-2-en-1-one?
3-[3-(2-methoxyethoxy)propyl]cyclopent-2-en-1-one has a molecular weight of 198.26 g/mol, XLogP of 1.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxy)propyl]cyclopent-2-en-1-one is sourced from PubChem (CID 103413630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).