2-(dimethoxymethoxymethyl)cyclopentan-1-one

C9H16O4 — CID 142790284

IUPAC2-(dimethoxymethoxymethyl)cyclopentan-1-one
SMILESCOC(OC)OCC1CCCC1=O
InChIInChI=1S/C9H16O4/c1-11-9(12-2)13-6-7-4-3-5-8(7)10/h7,9H,3-6H2,1-2H3
InChIKeyULHSMTLBUMQSGR-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.95
Rot. Bonds5

About 2-(dimethoxymethoxymethyl)cyclopentan-1-one

2-(dimethoxymethoxymethyl)cyclopentan-1-one (PubChem CID 142790284) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-(dimethoxymethoxymethyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(dimethoxymethoxymethyl)cyclopentan-1-one
PubChem CID142790284
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-(dimethoxymethoxymethyl)cyclopentan-1-one
SMILESCOC(OC)OCC1CCCC1=O
InChIInChI=1S/C9H16O4/c1-11-9(12-2)13-6-7-4-3-5-8(7)10/h7,9H,3-6H2,1-2H3
InChIKeyULHSMTLBUMQSGR-UHFFFAOYSA-N
XLogP0.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(dimethoxymethoxymethyl)cyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethoxymethyl)cyclopentan-1-one?
The IUPAC name of 2-(dimethoxymethoxymethyl)cyclopentan-1-one (CID 142790284) is 2-(dimethoxymethoxymethyl)cyclopentan-1-one.
What is the SMILES notation for 2-(dimethoxymethoxymethyl)cyclopentan-1-one?
The canonical SMILES for 2-(dimethoxymethoxymethyl)cyclopentan-1-one is COC(OC)OCC1CCCC1=O.
What is the InChIKey of 2-(dimethoxymethoxymethyl)cyclopentan-1-one?
The InChIKey is ULHSMTLBUMQSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-11-9(12-2)13-6-7-4-3-5-8(7)10/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-(dimethoxymethoxymethyl)cyclopentan-1-one?
2-(dimethoxymethoxymethyl)cyclopentan-1-one has a molecular weight of 188.22 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethoxymethyl)cyclopentan-1-one is sourced from PubChem (CID 142790284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).