8-(benzenesulfonyl)-1,4-dioxaspiro[4.6]undec-8-ene

C15H18O4S — CID 10902484

IUPAC8-(benzenesulfonyl)-1,4-dioxaspiro[4.6]undec-8-ene
SMILESO=S(=O)(C1=CCCC2(CC1)OCCO2)c1ccccc1
InChIInChI=1S/C15H18O4S/c16-20(17,13-5-2-1-3-6-13)14-7-4-9-15(10-8-14)18-11-12-19-15/h1-3,5-7H,4,8-12H2
InChIKeyLCVXZTHBKPAGLG-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.66
Rot. Bonds2

About 8-(benzenesulfonyl)-1,4-dioxaspiro[4.6]undec-8-ene

8-(benzenesulfonyl)-1,4-dioxaspiro[4.6]undec-8-ene (PubChem CID 10902484) has the molecular formula C15H18O4S and a molecular weight of 294.37 g/mol. Its IUPAC name is 8-(benzenesulfonyl)-1,4-dioxaspiro[4.6]undec-8-ene.

Molecular Properties

Compound Name8-(benzenesulfonyl)-1,4-dioxaspiro[4.6]undec-8-ene
PubChem CID10902484
Molecular FormulaC15H18O4S
Molecular Weight294.37 g/mol
Exact Mass294.09
IUPAC Name8-(benzenesulfonyl)-1,4-dioxaspiro[4.6]undec-8-ene
SMILESO=S(=O)(C1=CCCC2(CC1)OCCO2)c1ccccc1
InChIInChI=1S/C15H18O4S/c16-20(17,13-5-2-1-3-6-13)14-7-4-9-15(10-8-14)18-11-12-19-15/h1-3,5-7H,4,8-12H2
InChIKeyLCVXZTHBKPAGLG-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-Dimethyl-4-(phenylsulfanylmethyl)-1,3-dioxolane
CID 85353102
2-[3-(Benzenesulfonyl)propyl]-1,3-dioxolane
CID 11118676
(+-)-endo-7-Ethyl-5-methyl-3-(phenylsulfonyl)-6,8-dioxa-bicyclo[3.2.1]octan
CID 366363
2-[2-(Benzenesulfonyl)-2-fluoroethyl]-1,3-dioxolane
CID 14593286
4-[2-(Benzenesulfonyl)-2-diethoxyphosphoryl-2-fluoroethyl]-2,2-dimethyl-1,3-dioxolane
CID 101149173
8-(Benzenesulfinyl)-1,4-dioxaspiro[4.4]nonane
CID 13479852
5-(benzenesulfonyl)-2-ethoxy-6-methyl-3,4-dihydro-2H-pyran
CID 14913023
1,3-Dioxolane, 2-[2-(phenylsulfonyl)ethyl]-
CID 11096791
4-[Difluoro(phenylsulfonyl)methyl]-1,3-dioxolane-2-one
CID 101104370
3,3,3-Triethoxypropylsulfonylbenzene
CID 2733117
(4S)-4-[(E)-3-(benzenesulfonyl)prop-1-enyl]-2,2-dimethyl-1,3-dioxolane
CID 10902077
(4R)-2,2-dimethyl-4-(phenylsulfanylmethyl)-1,3-dioxolane
CID 10977116

Frequently Asked Questions

What is the IUPAC name of 8-(benzenesulfonyl)-1,4-dioxaspiro[4.6]undec-8-ene?
The IUPAC name of 8-(benzenesulfonyl)-1,4-dioxaspiro[4.6]undec-8-ene (CID 10902484) is 8-(benzenesulfonyl)-1,4-dioxaspiro[4.6]undec-8-ene.
What is the SMILES notation for 8-(benzenesulfonyl)-1,4-dioxaspiro[4.6]undec-8-ene?
The canonical SMILES for 8-(benzenesulfonyl)-1,4-dioxaspiro[4.6]undec-8-ene is O=S(=O)(C1=CCCC2(CC1)OCCO2)c1ccccc1.
What is the InChIKey of 8-(benzenesulfonyl)-1,4-dioxaspiro[4.6]undec-8-ene?
The InChIKey is LCVXZTHBKPAGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4S/c16-20(17,13-5-2-1-3-6-13)14-7-4-9-15(10-8-14)18-11-12-19-15/h1-3,5-7H,4,8-12H2.
What are the key properties of 8-(benzenesulfonyl)-1,4-dioxaspiro[4.6]undec-8-ene?
8-(benzenesulfonyl)-1,4-dioxaspiro[4.6]undec-8-ene has a molecular weight of 294.37 g/mol, XLogP of 2.66, 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[4.6]undec-8-ene is sourced from PubChem (CID 10902484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).