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

C14H23AcOS- — CID 23384775

IUPACactinium;1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone
SMILESC=CC1CC(C(C)=O)CC1C([CH2-])CSCC.[Ac]
InChIInChI=1S/C14H23OS.Ac/c1-5-12-7-13(11(4)15)8-14(12)10(3)9-16-6-2;/h5,10,12-14H,1,3,6-9H2,2,4H3;/q-1;
InChIKeyCVXZWSWJMOCMIP-UHFFFAOYSA-N
MW466.40 g/mol
LogP3.61
Rot. Bonds6

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

actinium;1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone (PubChem CID 23384775) has the molecular formula C14H23AcOS- and a molecular weight of 466.40 g/mol. Its IUPAC name is actinium;1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone.

Molecular Properties

Compound Nameactinium;1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone
PubChem CID23384775
Molecular FormulaC14H23AcOS-
Molecular Weight466.40 g/mol
Exact Mass466.18
IUPAC Nameactinium;1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone
SMILESC=CC1CC(C(C)=O)CC1C([CH2-])CSCC.[Ac]
InChIInChI=1S/C14H23OS.Ac/c1-5-12-7-13(11(4)15)8-14(12)10(3)9-16-6-2;/h5,10,12-14H,1,3,6-9H2,2,4H3;/q-1;
InChIKeyCVXZWSWJMOCMIP-UHFFFAOYSA-N
XLogP3.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone?
The IUPAC name of actinium;1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone (CID 23384775) is actinium;1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone.
What is the SMILES notation for actinium;1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone?
The canonical SMILES for actinium;1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone is C=CC1CC(C(C)=O)CC1C([CH2-])CSCC.[Ac].
What is the InChIKey of actinium;1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone?
The InChIKey is CVXZWSWJMOCMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23OS.Ac/c1-5-12-7-13(11(4)15)8-14(12)10(3)9-16-6-2;/h5,10,12-14H,1,3,6-9H2,2,4H3;/q-1;.
What are the key properties of actinium;1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone?
actinium;1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone has a molecular weight of 466.40 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone is sourced from PubChem (CID 23384775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).