5-ethenylspiro[1,3-benzodioxine-2,1'-cyclohexane]-4-one

C15H16O3 — CID 171601557

IUPAC5-ethenylspiro[1,3-benzodioxine-2,1'-cyclohexane]-4-one
SMILESC=Cc1cccc2c1C(=O)OC1(CCCCC1)O2
InChIInChI=1S/C15H16O3/c1-2-11-7-6-8-12-13(11)14(16)18-15(17-12)9-4-3-5-10-15/h2,6-8H,1,3-5,9-10H2
InChIKeyFBZQUEWQALDQOC-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.54
Rot. Bonds1

About 5-ethenylspiro[1,3-benzodioxine-2,1'-cyclohexane]-4-one

5-ethenylspiro[1,3-benzodioxine-2,1'-cyclohexane]-4-one (PubChem CID 171601557) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-ethenylspiro[1,3-benzodioxine-2,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name5-ethenylspiro[1,3-benzodioxine-2,1'-cyclohexane]-4-one
PubChem CID171601557
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name5-ethenylspiro[1,3-benzodioxine-2,1'-cyclohexane]-4-one
SMILESC=Cc1cccc2c1C(=O)OC1(CCCCC1)O2
InChIInChI=1S/C15H16O3/c1-2-11-7-6-8-12-13(11)14(16)18-15(17-12)9-4-3-5-10-15/h2,6-8H,1,3-5,9-10H2
InChIKeyFBZQUEWQALDQOC-UHFFFAOYSA-N
XLogP3.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethenylspiro[1,3-benzodioxine-2,1'-cyclohexane]-4-one?
The IUPAC name of 5-ethenylspiro[1,3-benzodioxine-2,1'-cyclohexane]-4-one (CID 171601557) is 5-ethenylspiro[1,3-benzodioxine-2,1'-cyclohexane]-4-one.
What is the SMILES notation for 5-ethenylspiro[1,3-benzodioxine-2,1'-cyclohexane]-4-one?
The canonical SMILES for 5-ethenylspiro[1,3-benzodioxine-2,1'-cyclohexane]-4-one is C=Cc1cccc2c1C(=O)OC1(CCCCC1)O2.
What is the InChIKey of 5-ethenylspiro[1,3-benzodioxine-2,1'-cyclohexane]-4-one?
The InChIKey is FBZQUEWQALDQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-2-11-7-6-8-12-13(11)14(16)18-15(17-12)9-4-3-5-10-15/h2,6-8H,1,3-5,9-10H2.
What are the key properties of 5-ethenylspiro[1,3-benzodioxine-2,1'-cyclohexane]-4-one?
5-ethenylspiro[1,3-benzodioxine-2,1'-cyclohexane]-4-one has a molecular weight of 244.29 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenylspiro[1,3-benzodioxine-2,1'-cyclohexane]-4-one is sourced from PubChem (CID 171601557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).