3-(4-methyl-1,3-dioxetan-2-yl)furan

C7H8O3 — CID 89039034

IUPAC3-(4-methyl-1,3-dioxetan-2-yl)furan
SMILESCC1OC(c2ccoc2)O1
InChIInChI=1S/C7H8O3/c1-5-9-7(10-5)6-2-3-8-4-6/h2-5,7H,1H3
InChIKeyATIQNNTXDMXHRG-UHFFFAOYSA-N
MW140.14 g/mol
LogP1.67
Rot. Bonds1

About 3-(4-methyl-1,3-dioxetan-2-yl)furan

3-(4-methyl-1,3-dioxetan-2-yl)furan (PubChem CID 89039034) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3-(4-methyl-1,3-dioxetan-2-yl)furan.

Molecular Properties

Compound Name3-(4-methyl-1,3-dioxetan-2-yl)furan
PubChem CID89039034
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name3-(4-methyl-1,3-dioxetan-2-yl)furan
SMILESCC1OC(c2ccoc2)O1
InChIInChI=1S/C7H8O3/c1-5-9-7(10-5)6-2-3-8-4-6/h2-5,7H,1H3
InChIKeyATIQNNTXDMXHRG-UHFFFAOYSA-N
XLogP1.67
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-dioxetan-2-yl)furan?
The IUPAC name of 3-(4-methyl-1,3-dioxetan-2-yl)furan (CID 89039034) is 3-(4-methyl-1,3-dioxetan-2-yl)furan.
What is the SMILES notation for 3-(4-methyl-1,3-dioxetan-2-yl)furan?
The canonical SMILES for 3-(4-methyl-1,3-dioxetan-2-yl)furan is CC1OC(c2ccoc2)O1.
What is the InChIKey of 3-(4-methyl-1,3-dioxetan-2-yl)furan?
The InChIKey is ATIQNNTXDMXHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-5-9-7(10-5)6-2-3-8-4-6/h2-5,7H,1H3.
What are the key properties of 3-(4-methyl-1,3-dioxetan-2-yl)furan?
3-(4-methyl-1,3-dioxetan-2-yl)furan has a molecular weight of 140.14 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-dioxetan-2-yl)furan is sourced from PubChem (CID 89039034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).