1-[5-(2-methoxyethoxymethyl)oxolan-2-yl]ethanone

C10H18O4 — CID 159269856

IUPAC1-[5-(2-methoxyethoxymethyl)oxolan-2-yl]ethanone
SMILESCOCCOCC1CCC(C(C)=O)O1
InChIInChI=1S/C10H18O4/c1-8(11)10-4-3-9(14-10)7-13-6-5-12-2/h9-10H,3-7H2,1-2H3
InChIKeyKXOLVEPKFNINRG-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.79
Rot. Bonds6

About 1-[5-(2-methoxyethoxymethyl)oxolan-2-yl]ethanone

1-[5-(2-methoxyethoxymethyl)oxolan-2-yl]ethanone (PubChem CID 159269856) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-[5-(2-methoxyethoxymethyl)oxolan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-methoxyethoxymethyl)oxolan-2-yl]ethanone
PubChem CID159269856
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name1-[5-(2-methoxyethoxymethyl)oxolan-2-yl]ethanone
SMILESCOCCOCC1CCC(C(C)=O)O1
InChIInChI=1S/C10H18O4/c1-8(11)10-4-3-9(14-10)7-13-6-5-12-2/h9-10H,3-7H2,1-2H3
InChIKeyKXOLVEPKFNINRG-UHFFFAOYSA-N
XLogP0.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
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'}

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Related Compounds

5-(2-propoxyethoxymethyl)oxolane-2-carboxylic acid
CID 63687060
1-[5-(chloromethyl)oxolan-2-yl]ethanone
CID 158285804
2-(2-methoxyethoxy)ethyl 5-(aminomethyl)oxolane-2-carboxylate
CID 104563407
1-(5-acetyloxolan-2-yl)ethanone
CID 123648295
N-[[5-(2-methoxyethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 55077944
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 90384181
2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane
CID 101393644
5-(cyclohexylmethoxymethyl)oxolane-2-carboxylic acid
CID 55067862
2-[2-(2-methoxyethoxy)ethoxymethyl]oxolane
CID 157159519
5-(3,3,3-trifluoropropoxymethyl)oxolane-2-carbohydrazide
CID 82957880
2-(4-methoxybutoxymethyl)oxirane
CID 58151519
(2R)-2-(3-methoxypropoxymethyl)oxirane
CID 130493223

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxyethoxymethyl)oxolan-2-yl]ethanone?
The IUPAC name of 1-[5-(2-methoxyethoxymethyl)oxolan-2-yl]ethanone (CID 159269856) is 1-[5-(2-methoxyethoxymethyl)oxolan-2-yl]ethanone.
What is the SMILES notation for 1-[5-(2-methoxyethoxymethyl)oxolan-2-yl]ethanone?
The canonical SMILES for 1-[5-(2-methoxyethoxymethyl)oxolan-2-yl]ethanone is COCCOCC1CCC(C(C)=O)O1.
What is the InChIKey of 1-[5-(2-methoxyethoxymethyl)oxolan-2-yl]ethanone?
The InChIKey is KXOLVEPKFNINRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-8(11)10-4-3-9(14-10)7-13-6-5-12-2/h9-10H,3-7H2,1-2H3.
What are the key properties of 1-[5-(2-methoxyethoxymethyl)oxolan-2-yl]ethanone?
1-[5-(2-methoxyethoxymethyl)oxolan-2-yl]ethanone has a molecular weight of 202.25 g/mol, XLogP of 0.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxyethoxymethyl)oxolan-2-yl]ethanone is sourced from PubChem (CID 159269856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).