1,4-dioxan-2-yl-(4-methylfuran-3-yl)methanone

C10H12O4 — CID 130964889

IUPAC1,4-dioxan-2-yl-(4-methylfuran-3-yl)methanone
SMILESCc1cocc1C(=O)C1COCCO1
InChIInChI=1S/C10H12O4/c1-7-4-13-5-8(7)10(11)9-6-12-2-3-14-9/h4-5,9H,2-3,6H2,1H3
InChIKeyJLUHBGGCWXMFDQ-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.19
Rot. Bonds2

About 1,4-dioxan-2-yl-(4-methylfuran-3-yl)methanone

1,4-dioxan-2-yl-(4-methylfuran-3-yl)methanone (PubChem CID 130964889) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-(4-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name1,4-dioxan-2-yl-(4-methylfuran-3-yl)methanone
PubChem CID130964889
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name1,4-dioxan-2-yl-(4-methylfuran-3-yl)methanone
SMILESCc1cocc1C(=O)C1COCCO1
InChIInChI=1S/C10H12O4/c1-7-4-13-5-8(7)10(11)9-6-12-2-3-14-9/h4-5,9H,2-3,6H2,1H3
InChIKeyJLUHBGGCWXMFDQ-UHFFFAOYSA-N
XLogP1.19
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-(4-methylfuran-3-yl)methanone?
The IUPAC name of 1,4-dioxan-2-yl-(4-methylfuran-3-yl)methanone (CID 130964889) is 1,4-dioxan-2-yl-(4-methylfuran-3-yl)methanone.
What is the SMILES notation for 1,4-dioxan-2-yl-(4-methylfuran-3-yl)methanone?
The canonical SMILES for 1,4-dioxan-2-yl-(4-methylfuran-3-yl)methanone is Cc1cocc1C(=O)C1COCCO1.
What is the InChIKey of 1,4-dioxan-2-yl-(4-methylfuran-3-yl)methanone?
The InChIKey is JLUHBGGCWXMFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-7-4-13-5-8(7)10(11)9-6-12-2-3-14-9/h4-5,9H,2-3,6H2,1H3.
What are the key properties of 1,4-dioxan-2-yl-(4-methylfuran-3-yl)methanone?
1,4-dioxan-2-yl-(4-methylfuran-3-yl)methanone has a molecular weight of 196.20 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl-(4-methylfuran-3-yl)methanone is sourced from PubChem (CID 130964889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).