3-[2-(2-methoxyethoxy)ethoxy]cyclopentan-1-one

C10H18O4 — CID 104563937

IUPAC3-[2-(2-methoxyethoxy)ethoxy]cyclopentan-1-one
SMILESCOCCOCCOC1CCC(=O)C1
InChIInChI=1S/C10H18O4/c1-12-4-5-13-6-7-14-10-3-2-9(11)8-10/h10H,2-8H2,1H3
InChIKeyZNMIZXXEANNDNK-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.79
Rot. Bonds7

About 3-[2-(2-methoxyethoxy)ethoxy]cyclopentan-1-one

3-[2-(2-methoxyethoxy)ethoxy]cyclopentan-1-one (PubChem CID 104563937) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethoxy]cyclopentan-1-one.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethoxy]cyclopentan-1-one
PubChem CID104563937
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name3-[2-(2-methoxyethoxy)ethoxy]cyclopentan-1-one
SMILESCOCCOCCOC1CCC(=O)C1
InChIInChI=1S/C10H18O4/c1-12-4-5-13-6-7-14-10-3-2-9(11)8-10/h10H,2-8H2,1H3
InChIKeyZNMIZXXEANNDNK-UHFFFAOYSA-N
XLogP0.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-(2-methoxyethoxy)ethoxy]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

Related Compounds

3-(2-propoxyethoxy)cyclohexan-1-one
CID 79618382
3-ethoxycyclopentan-1-one
CID 15050470
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]piperidine;hydrochloride
CID 118540846
3-methoxycyclopentan-1-one;molecular hydrogen
CID 142607511
cyclohexanone;1-methoxy-2-(2-methoxyethoxy)ethane
CID 174822719
1,8-bis(2-methoxyethoxy)octane
CID 143118909
4-[2-(2-methoxyethoxy)ethyl-methylamino]cyclohexan-1-one
CID 79120597
3-(2-butoxyethoxy)-2-(2-methoxyethoxy)cyclobutan-1-one
CID 114032115
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
3-[2-(2-methoxyethoxy)ethoxy]cyclopentan-1-amine
CID 79466003
tert-butyl 4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 155783169
3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine-2,6-dione
CID 104567454

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethoxy]cyclopentan-1-one?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethoxy]cyclopentan-1-one (CID 104563937) is 3-[2-(2-methoxyethoxy)ethoxy]cyclopentan-1-one.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethoxy]cyclopentan-1-one?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethoxy]cyclopentan-1-one is COCCOCCOC1CCC(=O)C1.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethoxy]cyclopentan-1-one?
The InChIKey is ZNMIZXXEANNDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-12-4-5-13-6-7-14-10-3-2-9(11)8-10/h10H,2-8H2,1H3.
What are the key properties of 3-[2-(2-methoxyethoxy)ethoxy]cyclopentan-1-one?
3-[2-(2-methoxyethoxy)ethoxy]cyclopentan-1-one has a molecular weight of 202.25 g/mol, XLogP of 0.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethoxy]cyclopentan-1-one is sourced from PubChem (CID 104563937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).