3-(2-butoxyethoxy)-2-(2-methoxyethoxy)cyclobutan-1-one

C13H24O5 — CID 114032115

IUPAC3-(2-butoxyethoxy)-2-(2-methoxyethoxy)cyclobutan-1-one
SMILESCCCCOCCOC1CC(=O)C1OCCOC
InChIInChI=1S/C13H24O5/c1-3-4-5-16-7-9-17-12-10-11(14)13(12)18-8-6-15-2/h12-13H,3-10H2,1-2H3
InChIKeyAMJVYSKPWLWFDA-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.19
Rot. Bonds11

About 3-(2-butoxyethoxy)-2-(2-methoxyethoxy)cyclobutan-1-one

3-(2-butoxyethoxy)-2-(2-methoxyethoxy)cyclobutan-1-one (PubChem CID 114032115) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is 3-(2-butoxyethoxy)-2-(2-methoxyethoxy)cyclobutan-1-one.

Molecular Properties

Compound Name3-(2-butoxyethoxy)-2-(2-methoxyethoxy)cyclobutan-1-one
PubChem CID114032115
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Name3-(2-butoxyethoxy)-2-(2-methoxyethoxy)cyclobutan-1-one
SMILESCCCCOCCOC1CC(=O)C1OCCOC
InChIInChI=1S/C13H24O5/c1-3-4-5-16-7-9-17-12-10-11(14)13(12)18-8-6-15-2/h12-13H,3-10H2,1-2H3
InChIKeyAMJVYSKPWLWFDA-UHFFFAOYSA-N
XLogP1.19
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-heptoxy-2-propoxycyclobutan-1-one
CID 107942270
2-ethoxy-3-pentoxycyclobutan-1-one
CID 104675164
cis-(2R,3S)-3-butoxy-2-cyclopropylcyclobutan-1-one
CID 122370018
1-[2-(2-butoxyethoxy)ethoxy]butane;1-[2-(2-methoxyethoxy)ethoxy]pentane
CID 157339506
1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane
CID 174801496
3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-one
CID 66366208
2-propoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one
CID 107942238
3-[2-(2-methoxyethoxy)ethoxy]cyclopentan-1-one
CID 104563937
1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151811497
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 175220502
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]heptane
CID 44593867
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecane
CID 102000806

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethoxy)-2-(2-methoxyethoxy)cyclobutan-1-one?
The IUPAC name of 3-(2-butoxyethoxy)-2-(2-methoxyethoxy)cyclobutan-1-one (CID 114032115) is 3-(2-butoxyethoxy)-2-(2-methoxyethoxy)cyclobutan-1-one.
What is the SMILES notation for 3-(2-butoxyethoxy)-2-(2-methoxyethoxy)cyclobutan-1-one?
The canonical SMILES for 3-(2-butoxyethoxy)-2-(2-methoxyethoxy)cyclobutan-1-one is CCCCOCCOC1CC(=O)C1OCCOC.
What is the InChIKey of 3-(2-butoxyethoxy)-2-(2-methoxyethoxy)cyclobutan-1-one?
The InChIKey is AMJVYSKPWLWFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5/c1-3-4-5-16-7-9-17-12-10-11(14)13(12)18-8-6-15-2/h12-13H,3-10H2,1-2H3.
What are the key properties of 3-(2-butoxyethoxy)-2-(2-methoxyethoxy)cyclobutan-1-one?
3-(2-butoxyethoxy)-2-(2-methoxyethoxy)cyclobutan-1-one has a molecular weight of 260.33 g/mol, XLogP of 1.19, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethoxy)-2-(2-methoxyethoxy)cyclobutan-1-one is sourced from PubChem (CID 114032115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).