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

C15H26OS — CID 23384653

IUPAC1-[3-ethenyl-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone
SMILESC=CC1CC(C(C)=O)CC1C(C)CSC(C)C
InChIInChI=1S/C15H26OS/c1-6-13-7-14(12(5)16)8-15(13)11(4)9-17-10(2)3/h6,10-11,13-15H,1,7-9H2,2-5H3
InChIKeyIYJPNTXEIXJZJW-UHFFFAOYSA-N
MW254.44 g/mol
LogP4.18
Rot. Bonds6

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

1-[3-ethenyl-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone (PubChem CID 23384653) has the molecular formula C15H26OS and a molecular weight of 254.44 g/mol. Its IUPAC name is 1-[3-ethenyl-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone.

Molecular Properties

Compound Name1-[3-ethenyl-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone
PubChem CID23384653
Molecular FormulaC15H26OS
Molecular Weight254.44 g/mol
Exact Mass254.17
IUPAC Name1-[3-ethenyl-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone
SMILESC=CC1CC(C(C)=O)CC1C(C)CSC(C)C
InChIInChI=1S/C15H26OS/c1-6-13-7-14(12(5)16)8-15(13)11(4)9-17-10(2)3/h6,10-11,13-15H,1,7-9H2,2-5H3
InChIKeyIYJPNTXEIXJZJW-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 54.18
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-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone?
The IUPAC name of 1-[3-ethenyl-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone (CID 23384653) is 1-[3-ethenyl-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone.
What is the SMILES notation for 1-[3-ethenyl-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone?
The canonical SMILES for 1-[3-ethenyl-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone is C=CC1CC(C(C)=O)CC1C(C)CSC(C)C.
What is the InChIKey of 1-[3-ethenyl-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone?
The InChIKey is IYJPNTXEIXJZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OS/c1-6-13-7-14(12(5)16)8-15(13)11(4)9-17-10(2)3/h6,10-11,13-15H,1,7-9H2,2-5H3.
What are the key properties of 1-[3-ethenyl-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone?
1-[3-ethenyl-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone has a molecular weight of 254.44 g/mol, XLogP of 4.18, 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-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone is sourced from PubChem (CID 23384653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).