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

C15H25AcOS- — CID 23384778

IUPACactinium;1-[3-ethenyl-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone
SMILESC=CC1CC(C(C)=O)CC1C([CH2-])CSC(C)C.[Ac]
InChIInChI=1S/C15H25OS.Ac/c1-6-13-7-14(12(5)16)8-15(13)11(4)9-17-10(2)3;/h6,10-11,13-15H,1,4,7-9H2,2-3,5H3;/q-1;
InChIKeyDJQOJMBBOOZFGP-UHFFFAOYSA-N
MW480.43 g/mol
LogP4.00
Rot. Bonds6

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

actinium;1-[3-ethenyl-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone (PubChem CID 23384778) has the molecular formula C15H25AcOS- and a molecular weight of 480.43 g/mol. Its IUPAC name is actinium;1-[3-ethenyl-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone.

Molecular Properties

Compound Nameactinium;1-[3-ethenyl-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone
PubChem CID23384778
Molecular FormulaC15H25AcOS-
Molecular Weight480.43 g/mol
Exact Mass480.19
IUPAC Nameactinium;1-[3-ethenyl-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone
SMILESC=CC1CC(C(C)=O)CC1C([CH2-])CSC(C)C.[Ac]
InChIInChI=1S/C15H25OS.Ac/c1-6-13-7-14(12(5)16)8-15(13)11(4)9-17-10(2)3;/h6,10-11,13-15H,1,4,7-9H2,2-3,5H3;/q-1;
InChIKeyDJQOJMBBOOZFGP-UHFFFAOYSA-N
XLogP4.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.43
LogP ≤ 54.00
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-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone?
The IUPAC name of actinium;1-[3-ethenyl-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone (CID 23384778) is actinium;1-[3-ethenyl-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone.
What is the SMILES notation for actinium;1-[3-ethenyl-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone?
The canonical SMILES for actinium;1-[3-ethenyl-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone is C=CC1CC(C(C)=O)CC1C([CH2-])CSC(C)C.[Ac].
What is the InChIKey of actinium;1-[3-ethenyl-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone?
The InChIKey is DJQOJMBBOOZFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25OS.Ac/c1-6-13-7-14(12(5)16)8-15(13)11(4)9-17-10(2)3;/h6,10-11,13-15H,1,4,7-9H2,2-3,5H3;/q-1;.
What are the key properties of actinium;1-[3-ethenyl-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone?
actinium;1-[3-ethenyl-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone has a molecular weight of 480.43 g/mol, XLogP of 4.00, 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-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone is sourced from PubChem (CID 23384778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).