8-(benzenesulfonyl)-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene

C15H18O4S — CID 13213582

IUPAC8-(benzenesulfonyl)-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCC1(S(=O)(=O)c2ccccc2)C=CC2(CC1)OCCO2
InChIInChI=1S/C15H18O4S/c1-14(20(16,17)13-5-3-2-4-6-13)7-9-15(10-8-14)18-11-12-19-15/h2-7,9H,8,10-12H2,1H3
InChIKeyUOANCOBWKQIHQO-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.31
Rot. Bonds2

About 8-(benzenesulfonyl)-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene

8-(benzenesulfonyl)-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 13213582) has the molecular formula C15H18O4S and a molecular weight of 294.37 g/mol. Its IUPAC name is 8-(benzenesulfonyl)-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name8-(benzenesulfonyl)-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID13213582
Molecular FormulaC15H18O4S
Molecular Weight294.37 g/mol
Exact Mass294.09
IUPAC Name8-(benzenesulfonyl)-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCC1(S(=O)(=O)c2ccccc2)C=CC2(CC1)OCCO2
InChIInChI=1S/C15H18O4S/c1-14(20(16,17)13-5-3-2-4-6-13)7-9-15(10-8-14)18-11-12-19-15/h2-7,9H,8,10-12H2,1H3
InChIKeyUOANCOBWKQIHQO-UHFFFAOYSA-N
XLogP2.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(benzenesulfonyl)-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of 8-(benzenesulfonyl)-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene (CID 13213582) is 8-(benzenesulfonyl)-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for 8-(benzenesulfonyl)-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for 8-(benzenesulfonyl)-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene is CC1(S(=O)(=O)c2ccccc2)C=CC2(CC1)OCCO2.
What is the InChIKey of 8-(benzenesulfonyl)-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is UOANCOBWKQIHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4S/c1-14(20(16,17)13-5-3-2-4-6-13)7-9-15(10-8-14)18-11-12-19-15/h2-7,9H,8,10-12H2,1H3.
What are the key properties of 8-(benzenesulfonyl)-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene?
8-(benzenesulfonyl)-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene has a molecular weight of 294.37 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(benzenesulfonyl)-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 13213582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).