actinium;1-[3-ethenyl-4-(1-ethylsulfonylpropan-2-yl)cyclopentyl]ethanone

C14H23AcO3S- — CID 23384776

IUPACactinium;1-[3-ethenyl-4-(1-ethylsulfonylpropan-2-yl)cyclopentyl]ethanone
SMILESC=CC1CC(C(C)=O)CC1C([CH2-])CS(=O)(=O)CC.[Ac]
InChIInChI=1S/C14H23O3S.Ac/c1-5-12-7-13(11(4)15)8-14(12)10(3)9-18(16,17)6-2;/h5,10,12-14H,1,3,6-9H2,2,4H3;/q-1;
InChIKeyMGQPIDUFXKPADP-UHFFFAOYSA-N
MW498.40 g/mol
LogP2.29
Rot. Bonds6

About actinium;1-[3-ethenyl-4-(1-ethylsulfonylpropan-2-yl)cyclopentyl]ethanone

actinium;1-[3-ethenyl-4-(1-ethylsulfonylpropan-2-yl)cyclopentyl]ethanone (PubChem CID 23384776) has the molecular formula C14H23AcO3S- and a molecular weight of 498.40 g/mol. Its IUPAC name is actinium;1-[3-ethenyl-4-(1-ethylsulfonylpropan-2-yl)cyclopentyl]ethanone.

Molecular Properties

Compound Nameactinium;1-[3-ethenyl-4-(1-ethylsulfonylpropan-2-yl)cyclopentyl]ethanone
PubChem CID23384776
Molecular FormulaC14H23AcO3S-
Molecular Weight498.40 g/mol
Exact Mass498.17
IUPAC Nameactinium;1-[3-ethenyl-4-(1-ethylsulfonylpropan-2-yl)cyclopentyl]ethanone
SMILESC=CC1CC(C(C)=O)CC1C([CH2-])CS(=O)(=O)CC.[Ac]
InChIInChI=1S/C14H23O3S.Ac/c1-5-12-7-13(11(4)15)8-14(12)10(3)9-18(16,17)6-2;/h5,10,12-14H,1,3,6-9H2,2,4H3;/q-1;
InChIKeyMGQPIDUFXKPADP-UHFFFAOYSA-N
XLogP2.29
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.40
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of actinium;1-[3-ethenyl-4-(1-ethylsulfonylpropan-2-yl)cyclopentyl]ethanone?
The IUPAC name of actinium;1-[3-ethenyl-4-(1-ethylsulfonylpropan-2-yl)cyclopentyl]ethanone (CID 23384776) is actinium;1-[3-ethenyl-4-(1-ethylsulfonylpropan-2-yl)cyclopentyl]ethanone.
What is the SMILES notation for actinium;1-[3-ethenyl-4-(1-ethylsulfonylpropan-2-yl)cyclopentyl]ethanone?
The canonical SMILES for actinium;1-[3-ethenyl-4-(1-ethylsulfonylpropan-2-yl)cyclopentyl]ethanone is C=CC1CC(C(C)=O)CC1C([CH2-])CS(=O)(=O)CC.[Ac].
What is the InChIKey of actinium;1-[3-ethenyl-4-(1-ethylsulfonylpropan-2-yl)cyclopentyl]ethanone?
The InChIKey is MGQPIDUFXKPADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O3S.Ac/c1-5-12-7-13(11(4)15)8-14(12)10(3)9-18(16,17)6-2;/h5,10,12-14H,1,3,6-9H2,2,4H3;/q-1;.
What are the key properties of actinium;1-[3-ethenyl-4-(1-ethylsulfonylpropan-2-yl)cyclopentyl]ethanone?
actinium;1-[3-ethenyl-4-(1-ethylsulfonylpropan-2-yl)cyclopentyl]ethanone has a molecular weight of 498.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;1-[3-ethenyl-4-(1-ethylsulfonylpropan-2-yl)cyclopentyl]ethanone is sourced from PubChem (CID 23384776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).