3,4-dimethoxy-2,5-bis(methoxymethyl)cyclopentan-1-one

C11H20O5 — CID 118099334

IUPAC3,4-dimethoxy-2,5-bis(methoxymethyl)cyclopentan-1-one
SMILESCOCC1C(=O)C(COC)C(OC)C1OC
InChIInChI=1S/C11H20O5/c1-13-5-7-9(12)8(6-14-2)11(16-4)10(7)15-3/h7-8,10-11H,5-6H2,1-4H3
InChIKeyMUCWUOKYTDXGSF-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.12
Rot. Bonds6

About 3,4-dimethoxy-2,5-bis(methoxymethyl)cyclopentan-1-one

3,4-dimethoxy-2,5-bis(methoxymethyl)cyclopentan-1-one (PubChem CID 118099334) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3,4-dimethoxy-2,5-bis(methoxymethyl)cyclopentan-1-one.

Molecular Properties

Compound Name3,4-dimethoxy-2,5-bis(methoxymethyl)cyclopentan-1-one
PubChem CID118099334
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name3,4-dimethoxy-2,5-bis(methoxymethyl)cyclopentan-1-one
SMILESCOCC1C(=O)C(COC)C(OC)C1OC
InChIInChI=1S/C11H20O5/c1-13-5-7-9(12)8(6-14-2)11(16-4)10(7)15-3/h7-8,10-11H,5-6H2,1-4H3
InChIKeyMUCWUOKYTDXGSF-UHFFFAOYSA-N
XLogP0.12
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-2,5-bis(methoxymethyl)cyclopentan-1-one?
The IUPAC name of 3,4-dimethoxy-2,5-bis(methoxymethyl)cyclopentan-1-one (CID 118099334) is 3,4-dimethoxy-2,5-bis(methoxymethyl)cyclopentan-1-one.
What is the SMILES notation for 3,4-dimethoxy-2,5-bis(methoxymethyl)cyclopentan-1-one?
The canonical SMILES for 3,4-dimethoxy-2,5-bis(methoxymethyl)cyclopentan-1-one is COCC1C(=O)C(COC)C(OC)C1OC.
What is the InChIKey of 3,4-dimethoxy-2,5-bis(methoxymethyl)cyclopentan-1-one?
The InChIKey is MUCWUOKYTDXGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-13-5-7-9(12)8(6-14-2)11(16-4)10(7)15-3/h7-8,10-11H,5-6H2,1-4H3.
What are the key properties of 3,4-dimethoxy-2,5-bis(methoxymethyl)cyclopentan-1-one?
3,4-dimethoxy-2,5-bis(methoxymethyl)cyclopentan-1-one has a molecular weight of 232.28 g/mol, XLogP of 0.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-2,5-bis(methoxymethyl)cyclopentan-1-one is sourced from PubChem (CID 118099334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).