2,3-dihydrofuran-5-yl(1,4-dioxan-2-yl)methanone

C9H12O4 — CID 102652763

IUPAC2,3-dihydrofuran-5-yl(1,4-dioxan-2-yl)methanone
SMILESO=C(C1=CCCO1)C1COCCO1
InChIInChI=1S/C9H12O4/c10-9(7-2-1-3-12-7)8-6-11-4-5-13-8/h2,8H,1,3-6H2
InChIKeyDNKHJTPHPILHHK-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.28
Rot. Bonds2

About 2,3-dihydrofuran-5-yl(1,4-dioxan-2-yl)methanone

2,3-dihydrofuran-5-yl(1,4-dioxan-2-yl)methanone (PubChem CID 102652763) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2,3-dihydrofuran-5-yl(1,4-dioxan-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-5-yl(1,4-dioxan-2-yl)methanone
PubChem CID102652763
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name2,3-dihydrofuran-5-yl(1,4-dioxan-2-yl)methanone
SMILESO=C(C1=CCCO1)C1COCCO1
InChIInChI=1S/C9H12O4/c10-9(7-2-1-3-12-7)8-6-11-4-5-13-8/h2,8H,1,3-6H2
InChIKeyDNKHJTPHPILHHK-UHFFFAOYSA-N
XLogP0.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-5-yl(1,4-dioxan-2-yl)methanone?
The IUPAC name of 2,3-dihydrofuran-5-yl(1,4-dioxan-2-yl)methanone (CID 102652763) is 2,3-dihydrofuran-5-yl(1,4-dioxan-2-yl)methanone.
What is the SMILES notation for 2,3-dihydrofuran-5-yl(1,4-dioxan-2-yl)methanone?
The canonical SMILES for 2,3-dihydrofuran-5-yl(1,4-dioxan-2-yl)methanone is O=C(C1=CCCO1)C1COCCO1.
What is the InChIKey of 2,3-dihydrofuran-5-yl(1,4-dioxan-2-yl)methanone?
The InChIKey is DNKHJTPHPILHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c10-9(7-2-1-3-12-7)8-6-11-4-5-13-8/h2,8H,1,3-6H2.
What are the key properties of 2,3-dihydrofuran-5-yl(1,4-dioxan-2-yl)methanone?
2,3-dihydrofuran-5-yl(1,4-dioxan-2-yl)methanone has a molecular weight of 184.19 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-5-yl(1,4-dioxan-2-yl)methanone is sourced from PubChem (CID 102652763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).