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

C12H22O4 — CID 104563945

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentan-1-one
SMILESCOCCOCCOCCC1CCCC1=O
InChIInChI=1S/C12H22O4/c1-14-7-8-16-10-9-15-6-5-11-3-2-4-12(11)13/h11H,2-10H2,1H3
InChIKeyVILHAVAZDVLNKW-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.43
Rot. Bonds9

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

2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentan-1-one (PubChem CID 104563945) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentan-1-one
PubChem CID104563945
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentan-1-one
SMILESCOCCOCCOCCC1CCCC1=O
InChIInChI=1S/C12H22O4/c1-14-7-8-16-10-9-15-6-5-11-3-2-4-12(11)13/h11H,2-10H2,1H3
InChIKeyVILHAVAZDVLNKW-UHFFFAOYSA-N
XLogP1.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxymethyl)cyclohexan-1-one
CID 141277549
2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentan-1-one
CID 79564860
3-[2-(2-methoxyethoxy)ethyl]azepan-2-one
CID 104679615
2-[2-(3-methoxypropylsulfanyl)ethyl]cyclopentan-1-one
CID 79573564
2-(2-ethenoxyethyl)cyclopentan-1-one
CID 10606978
2-(3-ethoxypropyl)cyclopentan-1-one
CID 65180867
3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine-2,6-dione
CID 104567454
2-[(1S)-2-oxocyclohexyl]ethyl acetate
CID 20637814
3-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-one
CID 104679374
2-[2-[2-methoxyethyl(2-methylpropyl)amino]ethyl]cyclopentan-1-one
CID 79568654
(2S)-2-(2-fluoroethyl)cyclopentan-1-one
CID 97052906
2-[[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 106483053

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentan-1-one (CID 104563945) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentan-1-one is COCCOCCOCCC1CCCC1=O.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentan-1-one?
The InChIKey is VILHAVAZDVLNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-14-7-8-16-10-9-15-6-5-11-3-2-4-12(11)13/h11H,2-10H2,1H3.
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentan-1-one?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentan-1-one has a molecular weight of 230.30 g/mol, XLogP of 1.43, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentan-1-one is sourced from PubChem (CID 104563945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).