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

C14H24OS — CID 23384652

IUPAC1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone
SMILESC=CC1CC(C(C)=O)CC1C(C)CSCC
InChIInChI=1S/C14H24OS/c1-5-12-7-13(11(4)15)8-14(12)10(3)9-16-6-2/h5,10,12-14H,1,6-9H2,2-4H3
InChIKeyFRYYTMHBUUWRAB-UHFFFAOYSA-N
MW240.41 g/mol
LogP3.79
Rot. Bonds6

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

1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone (PubChem CID 23384652) has the molecular formula C14H24OS and a molecular weight of 240.41 g/mol. Its IUPAC name is 1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone.

Molecular Properties

Compound Name1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone
PubChem CID23384652
Molecular FormulaC14H24OS
Molecular Weight240.41 g/mol
Exact Mass240.15
IUPAC Name1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone
SMILESC=CC1CC(C(C)=O)CC1C(C)CSCC
InChIInChI=1S/C14H24OS/c1-5-12-7-13(11(4)15)8-14(12)10(3)9-16-6-2/h5,10,12-14H,1,6-9H2,2-4H3
InChIKeyFRYYTMHBUUWRAB-UHFFFAOYSA-N
XLogP3.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone?
The IUPAC name of 1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone (CID 23384652) is 1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone.
What is the SMILES notation for 1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone?
The canonical SMILES for 1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone is C=CC1CC(C(C)=O)CC1C(C)CSCC.
What is the InChIKey of 1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone?
The InChIKey is FRYYTMHBUUWRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OS/c1-5-12-7-13(11(4)15)8-14(12)10(3)9-16-6-2/h5,10,12-14H,1,6-9H2,2-4H3.
What are the key properties of 1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone?
1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone has a molecular weight of 240.41 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone is sourced from PubChem (CID 23384652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).