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

C8H12O4 — CID 23560436

IUPAC2-(methoxymethoxymethyl)cyclopentane-1,3-dione
SMILESCOCOCC1C(=O)CCC1=O
InChIInChI=1S/C8H12O4/c1-11-5-12-4-6-7(9)2-3-8(6)10/h6H,2-5H2,1H3
InChIKeyAEYCEVJKDFRFCT-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.16
Rot. Bonds4

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

2-(methoxymethoxymethyl)cyclopentane-1,3-dione (PubChem CID 23560436) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-(methoxymethoxymethyl)cyclopentane-1,3-dione.

Molecular Properties

Compound Name2-(methoxymethoxymethyl)cyclopentane-1,3-dione
PubChem CID23560436
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name2-(methoxymethoxymethyl)cyclopentane-1,3-dione
SMILESCOCOCC1C(=O)CCC1=O
InChIInChI=1S/C8H12O4/c1-11-5-12-4-6-7(9)2-3-8(6)10/h6H,2-5H2,1H3
InChIKeyAEYCEVJKDFRFCT-UHFFFAOYSA-N
XLogP0.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxymethyl)cyclopentane-1,3-dione?
The IUPAC name of 2-(methoxymethoxymethyl)cyclopentane-1,3-dione (CID 23560436) is 2-(methoxymethoxymethyl)cyclopentane-1,3-dione.
What is the SMILES notation for 2-(methoxymethoxymethyl)cyclopentane-1,3-dione?
The canonical SMILES for 2-(methoxymethoxymethyl)cyclopentane-1,3-dione is COCOCC1C(=O)CCC1=O.
What is the InChIKey of 2-(methoxymethoxymethyl)cyclopentane-1,3-dione?
The InChIKey is AEYCEVJKDFRFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-11-5-12-4-6-7(9)2-3-8(6)10/h6H,2-5H2,1H3.
What are the key properties of 2-(methoxymethoxymethyl)cyclopentane-1,3-dione?
2-(methoxymethoxymethyl)cyclopentane-1,3-dione has a molecular weight of 172.18 g/mol, XLogP of 0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxymethyl)cyclopentane-1,3-dione is sourced from PubChem (CID 23560436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).