8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-7-ene

C14H16O4S — CID 13213581

IUPAC8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-7-ene
SMILESO=S(=O)(C1=CCC2(CC1)OCCO2)c1ccccc1
InChIInChI=1S/C14H16O4S/c15-19(16,12-4-2-1-3-5-12)13-6-8-14(9-7-13)17-10-11-18-14/h1-6H,7-11H2
InChIKeyIWFLOYPQJGPUBC-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.27
Rot. Bonds2

About 8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-7-ene

8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 13213581) has the molecular formula C14H16O4S and a molecular weight of 280.34 g/mol. Its IUPAC name is 8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID13213581
Molecular FormulaC14H16O4S
Molecular Weight280.34 g/mol
Exact Mass280.08
IUPAC Name8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-7-ene
SMILESO=S(=O)(C1=CCC2(CC1)OCCO2)c1ccccc1
InChIInChI=1S/C14H16O4S/c15-19(16,12-4-2-1-3-5-12)13-6-8-14(9-7-13)17-10-11-18-14/h1-6H,7-11H2
InChIKeyIWFLOYPQJGPUBC-UHFFFAOYSA-N
XLogP2.27
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-7-ene (CID 13213581) is 8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-7-ene is O=S(=O)(C1=CCC2(CC1)OCCO2)c1ccccc1.
What is the InChIKey of 8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is IWFLOYPQJGPUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4S/c15-19(16,12-4-2-1-3-5-12)13-6-8-14(9-7-13)17-10-11-18-14/h1-6H,7-11H2.
What are the key properties of 8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-7-ene?
8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 280.34 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(benzenesulfonyl)-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 13213581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).