2-(2-methoxyethoxymethyl)cyclohexan-1-one

C10H18O3 — CID 141277549

IUPAC2-(2-methoxyethoxymethyl)cyclohexan-1-one
SMILESCOCCOCC1CCCCC1=O
InChIInChI=1S/C10H18O3/c1-12-6-7-13-8-9-4-2-3-5-10(9)11/h9H,2-8H2,1H3
InChIKeyIOSMNMFTBYOKLK-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.41
Rot. Bonds5

About 2-(2-methoxyethoxymethyl)cyclohexan-1-one

2-(2-methoxyethoxymethyl)cyclohexan-1-one (PubChem CID 141277549) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(2-methoxyethoxymethyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(2-methoxyethoxymethyl)cyclohexan-1-one
PubChem CID141277549
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-(2-methoxyethoxymethyl)cyclohexan-1-one
SMILESCOCCOCC1CCCCC1=O
InChIInChI=1S/C10H18O3/c1-12-6-7-13-8-9-4-2-3-5-10(9)11/h9H,2-8H2,1H3
InChIKeyIOSMNMFTBYOKLK-UHFFFAOYSA-N
XLogP1.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentan-1-one
CID 104563945
2-[[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 106483053
2-[1-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79546607
2-(2-hydroxy-3-methoxypropyl)cycloheptan-1-one
CID 79416864
2-[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 103409847
(2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one
CID 915648
2-[(1S)-2-oxocyclohexyl]ethyl acetate
CID 20637814
cyclohexanone;1-methoxy-2-(2-methoxyethoxy)ethane
CID 174822719
2-methoxyethoxymethylcyclooctane
CID 3020404
2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentan-1-one
CID 79564860
3-(2-oxocyclohexyl)propyl acetate
CID 12573722
dimethyl 2-methyl-2-[(2-oxocyclohexyl)methyl]propanedioate
CID 71331186

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxymethyl)cyclohexan-1-one?
The IUPAC name of 2-(2-methoxyethoxymethyl)cyclohexan-1-one (CID 141277549) is 2-(2-methoxyethoxymethyl)cyclohexan-1-one.
What is the SMILES notation for 2-(2-methoxyethoxymethyl)cyclohexan-1-one?
The canonical SMILES for 2-(2-methoxyethoxymethyl)cyclohexan-1-one is COCCOCC1CCCCC1=O.
What is the InChIKey of 2-(2-methoxyethoxymethyl)cyclohexan-1-one?
The InChIKey is IOSMNMFTBYOKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-12-6-7-13-8-9-4-2-3-5-10(9)11/h9H,2-8H2,1H3.
What are the key properties of 2-(2-methoxyethoxymethyl)cyclohexan-1-one?
2-(2-methoxyethoxymethyl)cyclohexan-1-one has a molecular weight of 186.25 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxymethyl)cyclohexan-1-one is sourced from PubChem (CID 141277549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).