3-methoxyoxan-4-one

C6H10O3 — CID 23533610

IUPAC3-methoxyoxan-4-one
SMILESCOC1COCCC1=O
InChIInChI=1S/C6H10O3/c1-8-6-4-9-3-2-5(6)7/h6H,2-4H2,1H3
InChIKeyYMJJPBWCARDMCG-UHFFFAOYSA-N
MW130.14 g/mol
LogP-0.01
Rot. Bonds1

About 3-methoxyoxan-4-one

3-methoxyoxan-4-one (PubChem CID 23533610) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 3-methoxyoxan-4-one.

Molecular Properties

Compound Name3-methoxyoxan-4-one
PubChem CID23533610
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name3-methoxyoxan-4-one
SMILESCOC1COCCC1=O
InChIInChI=1S/C6H10O3/c1-8-6-4-9-3-2-5(6)7/h6H,2-4H2,1H3
InChIKeyYMJJPBWCARDMCG-UHFFFAOYSA-N
XLogP-0.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxyoxan-4-one?
The IUPAC name of 3-methoxyoxan-4-one (CID 23533610) is 3-methoxyoxan-4-one.
What is the SMILES notation for 3-methoxyoxan-4-one?
The canonical SMILES for 3-methoxyoxan-4-one is COC1COCCC1=O.
What is the InChIKey of 3-methoxyoxan-4-one?
The InChIKey is YMJJPBWCARDMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-8-6-4-9-3-2-5(6)7/h6H,2-4H2,1H3.
What are the key properties of 3-methoxyoxan-4-one?
3-methoxyoxan-4-one has a molecular weight of 130.14 g/mol, XLogP of -0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyoxan-4-one is sourced from PubChem (CID 23533610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).