3-(1,4-dioxin-2-yl)cyclohex-2-en-1-one

C10H10O3 — CID 57166036

IUPAC3-(1,4-dioxin-2-yl)cyclohex-2-en-1-one
SMILESO=C1C=C(C2=COC=CO2)CCC1
InChIInChI=1S/C10H10O3/c11-9-3-1-2-8(6-9)10-7-12-4-5-13-10/h4-7H,1-3H2
InChIKeyBXAULVJESAPFBC-UHFFFAOYSA-N
MW178.19 g/mol
LogP2.03
Rot. Bonds1

About 3-(1,4-dioxin-2-yl)cyclohex-2-en-1-one

3-(1,4-dioxin-2-yl)cyclohex-2-en-1-one (PubChem CID 57166036) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-(1,4-dioxin-2-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(1,4-dioxin-2-yl)cyclohex-2-en-1-one
PubChem CID57166036
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name3-(1,4-dioxin-2-yl)cyclohex-2-en-1-one
SMILESO=C1C=C(C2=COC=CO2)CCC1
InChIInChI=1S/C10H10O3/c11-9-3-1-2-8(6-9)10-7-12-4-5-13-10/h4-7H,1-3H2
InChIKeyBXAULVJESAPFBC-UHFFFAOYSA-N
XLogP2.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11041079
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3-(1-Butoxyethenyl)cyclohex-2-en-1-one
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Trimethylen-pyron
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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxin-2-yl)cyclohex-2-en-1-one?
The IUPAC name of 3-(1,4-dioxin-2-yl)cyclohex-2-en-1-one (CID 57166036) is 3-(1,4-dioxin-2-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(1,4-dioxin-2-yl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(1,4-dioxin-2-yl)cyclohex-2-en-1-one is O=C1C=C(C2=COC=CO2)CCC1.
What is the InChIKey of 3-(1,4-dioxin-2-yl)cyclohex-2-en-1-one?
The InChIKey is BXAULVJESAPFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c11-9-3-1-2-8(6-9)10-7-12-4-5-13-10/h4-7H,1-3H2.
What are the key properties of 3-(1,4-dioxin-2-yl)cyclohex-2-en-1-one?
3-(1,4-dioxin-2-yl)cyclohex-2-en-1-one has a molecular weight of 178.19 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxin-2-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 57166036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).