2-(methoxymethyl)cyclopentane-1,3-dione

C7H10O3 — CID 154123222

IUPAC2-(methoxymethyl)cyclopentane-1,3-dione
SMILESCOCC1C(=O)CCC1=O
InChIInChI=1S/C7H10O3/c1-10-4-5-6(8)2-3-7(5)9/h5H,2-4H2,1H3
InChIKeyAHPBECBEKJNHEW-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.18
Rot. Bonds2

About 2-(methoxymethyl)cyclopentane-1,3-dione

2-(methoxymethyl)cyclopentane-1,3-dione (PubChem CID 154123222) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 2-(methoxymethyl)cyclopentane-1,3-dione.

Molecular Properties

Compound Name2-(methoxymethyl)cyclopentane-1,3-dione
PubChem CID154123222
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name2-(methoxymethyl)cyclopentane-1,3-dione
SMILESCOCC1C(=O)CCC1=O
InChIInChI=1S/C7H10O3/c1-10-4-5-6(8)2-3-7(5)9/h5H,2-4H2,1H3
InChIKeyAHPBECBEKJNHEW-UHFFFAOYSA-N
XLogP0.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)cyclopentane-1,3-dione?
The IUPAC name of 2-(methoxymethyl)cyclopentane-1,3-dione (CID 154123222) is 2-(methoxymethyl)cyclopentane-1,3-dione.
What is the SMILES notation for 2-(methoxymethyl)cyclopentane-1,3-dione?
The canonical SMILES for 2-(methoxymethyl)cyclopentane-1,3-dione is COCC1C(=O)CCC1=O.
What is the InChIKey of 2-(methoxymethyl)cyclopentane-1,3-dione?
The InChIKey is AHPBECBEKJNHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-10-4-5-6(8)2-3-7(5)9/h5H,2-4H2,1H3.
What are the key properties of 2-(methoxymethyl)cyclopentane-1,3-dione?
2-(methoxymethyl)cyclopentane-1,3-dione has a molecular weight of 142.15 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)cyclopentane-1,3-dione is sourced from PubChem (CID 154123222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).