2-(dimethoxymethyl)-3-methoxy-2H-furan-5-one

C8H12O5 — CID 12886054

IUPAC2-(dimethoxymethyl)-3-methoxy-2H-furan-5-one
SMILESCOC1=CC(=O)OC1C(OC)OC
InChIInChI=1S/C8H12O5/c1-10-5-4-6(9)13-7(5)8(11-2)12-3/h4,7-8H,1-3H3
InChIKeyAFWHTRYJWYUHNQ-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.06
Rot. Bonds4

About 2-(dimethoxymethyl)-3-methoxy-2H-furan-5-one

2-(dimethoxymethyl)-3-methoxy-2H-furan-5-one (PubChem CID 12886054) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-3-methoxy-2H-furan-5-one.

Molecular Properties

Compound Name2-(dimethoxymethyl)-3-methoxy-2H-furan-5-one
PubChem CID12886054
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Name2-(dimethoxymethyl)-3-methoxy-2H-furan-5-one
SMILESCOC1=CC(=O)OC1C(OC)OC
InChIInChI=1S/C8H12O5/c1-10-5-4-6(9)13-7(5)8(11-2)12-3/h4,7-8H,1-3H3
InChIKeyAFWHTRYJWYUHNQ-UHFFFAOYSA-N
XLogP0.06
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-3-methoxy-2H-furan-5-one?
The IUPAC name of 2-(dimethoxymethyl)-3-methoxy-2H-furan-5-one (CID 12886054) is 2-(dimethoxymethyl)-3-methoxy-2H-furan-5-one.
What is the SMILES notation for 2-(dimethoxymethyl)-3-methoxy-2H-furan-5-one?
The canonical SMILES for 2-(dimethoxymethyl)-3-methoxy-2H-furan-5-one is COC1=CC(=O)OC1C(OC)OC.
What is the InChIKey of 2-(dimethoxymethyl)-3-methoxy-2H-furan-5-one?
The InChIKey is AFWHTRYJWYUHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O5/c1-10-5-4-6(9)13-7(5)8(11-2)12-3/h4,7-8H,1-3H3.
What are the key properties of 2-(dimethoxymethyl)-3-methoxy-2H-furan-5-one?
2-(dimethoxymethyl)-3-methoxy-2H-furan-5-one has a molecular weight of 188.18 g/mol, XLogP of 0.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-3-methoxy-2H-furan-5-one is sourced from PubChem (CID 12886054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).