1-[4-acetyl-5-[(3,4-diacetyl-5-methylfuran-2-yl)methoxymethyl]-2-methylfuran-3-yl]ethanone

C20H22O7 — CID 13168922

IUPAC1-[4-acetyl-5-[(3,4-diacetyl-5-methylfuran-2-yl)methoxymethyl]-2-methylfuran-3-yl]ethanone
SMILESCC(=O)c1c(C)oc(COCc2oc(C)c(C(C)=O)c2C(C)=O)c1C(C)=O
InChIInChI=1S/C20H22O7/c1-9(21)17-13(5)26-15(19(17)11(3)23)7-25-8-16-20(12(4)24)18(10(2)22)14(6)27-16/h7-8H2,1-6H3
InChIKeySVBWRDPIYZJCCB-UHFFFAOYSA-N
MW374.39 g/mol
LogP4.02
Rot. Bonds8

About 1-[4-acetyl-5-[(3,4-diacetyl-5-methylfuran-2-yl)methoxymethyl]-2-methylfuran-3-yl]ethanone

1-[4-acetyl-5-[(3,4-diacetyl-5-methylfuran-2-yl)methoxymethyl]-2-methylfuran-3-yl]ethanone (PubChem CID 13168922) has the molecular formula C20H22O7 and a molecular weight of 374.39 g/mol. Its IUPAC name is 1-[4-acetyl-5-[(3,4-diacetyl-5-methylfuran-2-yl)methoxymethyl]-2-methylfuran-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-acetyl-5-[(3,4-diacetyl-5-methylfuran-2-yl)methoxymethyl]-2-methylfuran-3-yl]ethanone
PubChem CID13168922
Molecular FormulaC20H22O7
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name1-[4-acetyl-5-[(3,4-diacetyl-5-methylfuran-2-yl)methoxymethyl]-2-methylfuran-3-yl]ethanone
SMILESCC(=O)c1c(C)oc(COCc2oc(C)c(C(C)=O)c2C(C)=O)c1C(C)=O
InChIInChI=1S/C20H22O7/c1-9(21)17-13(5)26-15(19(17)11(3)23)7-25-8-16-20(12(4)24)18(10(2)22)14(6)27-16/h7-8H2,1-6H3
InChIKeySVBWRDPIYZJCCB-UHFFFAOYSA-N
XLogP4.02
TPSA103.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-acetyl-5-[(3,4-diacetyl-5-methylfuran-2-yl)methoxymethyl]-2-methylfuran-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-acetyl-5-[(3,4-diacetyl-5-methylfuran-2-yl)methoxymethyl]-2-methylfuran-3-yl]ethanone?
The IUPAC name of 1-[4-acetyl-5-[(3,4-diacetyl-5-methylfuran-2-yl)methoxymethyl]-2-methylfuran-3-yl]ethanone (CID 13168922) is 1-[4-acetyl-5-[(3,4-diacetyl-5-methylfuran-2-yl)methoxymethyl]-2-methylfuran-3-yl]ethanone.
What is the SMILES notation for 1-[4-acetyl-5-[(3,4-diacetyl-5-methylfuran-2-yl)methoxymethyl]-2-methylfuran-3-yl]ethanone?
The canonical SMILES for 1-[4-acetyl-5-[(3,4-diacetyl-5-methylfuran-2-yl)methoxymethyl]-2-methylfuran-3-yl]ethanone is CC(=O)c1c(C)oc(COCc2oc(C)c(C(C)=O)c2C(C)=O)c1C(C)=O.
What is the InChIKey of 1-[4-acetyl-5-[(3,4-diacetyl-5-methylfuran-2-yl)methoxymethyl]-2-methylfuran-3-yl]ethanone?
The InChIKey is SVBWRDPIYZJCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O7/c1-9(21)17-13(5)26-15(19(17)11(3)23)7-25-8-16-20(12(4)24)18(10(2)22)14(6)27-16/h7-8H2,1-6H3.
What are the key properties of 1-[4-acetyl-5-[(3,4-diacetyl-5-methylfuran-2-yl)methoxymethyl]-2-methylfuran-3-yl]ethanone?
1-[4-acetyl-5-[(3,4-diacetyl-5-methylfuran-2-yl)methoxymethyl]-2-methylfuran-3-yl]ethanone has a molecular weight of 374.39 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-acetyl-5-[(3,4-diacetyl-5-methylfuran-2-yl)methoxymethyl]-2-methylfuran-3-yl]ethanone is sourced from PubChem (CID 13168922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).