3-(2,3-dihydro-1,4-dioxin-5-yl)cyclohexan-1-one

C10H14O3 — CID 11008562

IUPAC3-(2,3-dihydro-1,4-dioxin-5-yl)cyclohexan-1-one
SMILESO=C1CCCC(C2=COCCO2)C1
InChIInChI=1S/C10H14O3/c11-9-3-1-2-8(6-9)10-7-12-4-5-13-10/h7-8H,1-6H2
InChIKeyFWJXXRNWCVFOOU-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.63
Rot. Bonds1

About 3-(2,3-dihydro-1,4-dioxin-5-yl)cyclohexan-1-one

3-(2,3-dihydro-1,4-dioxin-5-yl)cyclohexan-1-one (PubChem CID 11008562) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-dioxin-5-yl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-dioxin-5-yl)cyclohexan-1-one
PubChem CID11008562
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name3-(2,3-dihydro-1,4-dioxin-5-yl)cyclohexan-1-one
SMILESO=C1CCCC(C2=COCCO2)C1
InChIInChI=1S/C10H14O3/c11-9-3-1-2-8(6-9)10-7-12-4-5-13-10/h7-8H,1-6H2
InChIKeyFWJXXRNWCVFOOU-UHFFFAOYSA-N
XLogP1.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-dioxin-5-yl)cyclohexan-1-one?
The IUPAC name of 3-(2,3-dihydro-1,4-dioxin-5-yl)cyclohexan-1-one (CID 11008562) is 3-(2,3-dihydro-1,4-dioxin-5-yl)cyclohexan-1-one.
What is the SMILES notation for 3-(2,3-dihydro-1,4-dioxin-5-yl)cyclohexan-1-one?
The canonical SMILES for 3-(2,3-dihydro-1,4-dioxin-5-yl)cyclohexan-1-one is O=C1CCCC(C2=COCCO2)C1.
What is the InChIKey of 3-(2,3-dihydro-1,4-dioxin-5-yl)cyclohexan-1-one?
The InChIKey is FWJXXRNWCVFOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c11-9-3-1-2-8(6-9)10-7-12-4-5-13-10/h7-8H,1-6H2.
What are the key properties of 3-(2,3-dihydro-1,4-dioxin-5-yl)cyclohexan-1-one?
3-(2,3-dihydro-1,4-dioxin-5-yl)cyclohexan-1-one has a molecular weight of 182.22 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-dioxin-5-yl)cyclohexan-1-one is sourced from PubChem (CID 11008562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).