2-(2-ethoxyprop-2-enyl)-2-methylcyclopentane-1,3-dione

C11H16O3 — CID 24972300

IUPAC2-(2-ethoxyprop-2-enyl)-2-methylcyclopentane-1,3-dione
SMILESC=C(CC1(C)C(=O)CCC1=O)OCC
InChIInChI=1S/C11H16O3/c1-4-14-8(2)7-11(3)9(12)5-6-10(11)13/h2,4-7H2,1,3H3
InChIKeyYWMGIAKVPJDBTL-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.87
Rot. Bonds4

About 2-(2-ethoxyprop-2-enyl)-2-methylcyclopentane-1,3-dione

2-(2-ethoxyprop-2-enyl)-2-methylcyclopentane-1,3-dione (PubChem CID 24972300) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(2-ethoxyprop-2-enyl)-2-methylcyclopentane-1,3-dione.

Molecular Properties

Compound Name2-(2-ethoxyprop-2-enyl)-2-methylcyclopentane-1,3-dione
PubChem CID24972300
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-(2-ethoxyprop-2-enyl)-2-methylcyclopentane-1,3-dione
SMILESC=C(CC1(C)C(=O)CCC1=O)OCC
InChIInChI=1S/C11H16O3/c1-4-14-8(2)7-11(3)9(12)5-6-10(11)13/h2,4-7H2,1,3H3
InChIKeyYWMGIAKVPJDBTL-UHFFFAOYSA-N
XLogP1.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(2-Oxo-1-prop-2-enylcyclopentyl)ethyl acetate
CID 10013344
2-(2-Ethoxy-2-propenyl)-2-methylcyclohexanone
CID 24977073
2-(3-Methoxypropyl)-2-prop-2-enylcyclopentane-1,3-dione
CID 90225013
2-(2-Methoxyprop-2-enyl)cyclopentan-1-one
CID 11084087
Ethyl 1-[2-(acetyloxy)-2-propenyl]-2-oxocyclopentanecarboxylate
CID 13700889

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyprop-2-enyl)-2-methylcyclopentane-1,3-dione?
The IUPAC name of 2-(2-ethoxyprop-2-enyl)-2-methylcyclopentane-1,3-dione (CID 24972300) is 2-(2-ethoxyprop-2-enyl)-2-methylcyclopentane-1,3-dione.
What is the SMILES notation for 2-(2-ethoxyprop-2-enyl)-2-methylcyclopentane-1,3-dione?
The canonical SMILES for 2-(2-ethoxyprop-2-enyl)-2-methylcyclopentane-1,3-dione is C=C(CC1(C)C(=O)CCC1=O)OCC.
What is the InChIKey of 2-(2-ethoxyprop-2-enyl)-2-methylcyclopentane-1,3-dione?
The InChIKey is YWMGIAKVPJDBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-4-14-8(2)7-11(3)9(12)5-6-10(11)13/h2,4-7H2,1,3H3.
What are the key properties of 2-(2-ethoxyprop-2-enyl)-2-methylcyclopentane-1,3-dione?
2-(2-ethoxyprop-2-enyl)-2-methylcyclopentane-1,3-dione has a molecular weight of 196.25 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyprop-2-enyl)-2-methylcyclopentane-1,3-dione is sourced from PubChem (CID 24972300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).