2-butan-2-ylsulfanyl-1-(cycloocten-1-yl)ethanone

C14H24OS — CID 106651882

IUPAC2-butan-2-ylsulfanyl-1-(cycloocten-1-yl)ethanone
SMILESCCC(C)SCC(=O)C1=CCCCCCC1
InChIInChI=1S/C14H24OS/c1-3-12(2)16-11-14(15)13-9-7-5-4-6-8-10-13/h9,12H,3-8,10-11H2,1-2H3
InChIKeyNMXNCGKQRVKNRE-UHFFFAOYSA-N
MW240.41 g/mol
LogP4.37
Rot. Bonds5

About 2-butan-2-ylsulfanyl-1-(cycloocten-1-yl)ethanone

2-butan-2-ylsulfanyl-1-(cycloocten-1-yl)ethanone (PubChem CID 106651882) has the molecular formula C14H24OS and a molecular weight of 240.41 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-1-(cycloocten-1-yl)ethanone.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-1-(cycloocten-1-yl)ethanone
PubChem CID106651882
Molecular FormulaC14H24OS
Molecular Weight240.41 g/mol
Exact Mass240.15
IUPAC Name2-butan-2-ylsulfanyl-1-(cycloocten-1-yl)ethanone
SMILESCCC(C)SCC(=O)C1=CCCCCCC1
InChIInChI=1S/C14H24OS/c1-3-12(2)16-11-14(15)13-9-7-5-4-6-8-10-13/h9,12H,3-8,10-11H2,1-2H3
InChIKeyNMXNCGKQRVKNRE-UHFFFAOYSA-N
XLogP4.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexen-1-yl)-3-methylpentan-1-one
CID 114874040
2-tert-butylsulfanyl-1-(cyclohepten-1-yl)ethanone
CID 106651877
1-(cyclohepten-1-yl)-3-methylhexan-1-one
CID 103450521
1-(cycloocten-1-yl)-2-ethoxyethanone
CID 106651939
2-(1-butan-2-ylpyrazol-3-yl)-1-(cyclohepten-1-yl)ethanone
CID 103450477
1-(cyclohepten-1-yl)-2-phenylsulfanylethanone
CID 106651892
3-(aminomethyl)-1-(cyclohexen-1-yl)pentan-1-one
CID 106655578
5-amino-1-(cycloocten-1-yl)hexan-1-one
CID 106655703
1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one
CID 106655769
2-(4-bromophenyl)sulfanyl-1-[(1E)-cycloocten-1-yl]ethanone
CID 106651942
1-(cyclohexen-1-yl)-2-(2-fluorophenyl)sulfanylethanone
CID 106651945
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-1-(cycloocten-1-yl)ethanone?
The IUPAC name of 2-butan-2-ylsulfanyl-1-(cycloocten-1-yl)ethanone (CID 106651882) is 2-butan-2-ylsulfanyl-1-(cycloocten-1-yl)ethanone.
What is the SMILES notation for 2-butan-2-ylsulfanyl-1-(cycloocten-1-yl)ethanone?
The canonical SMILES for 2-butan-2-ylsulfanyl-1-(cycloocten-1-yl)ethanone is CCC(C)SCC(=O)C1=CCCCCCC1.
What is the InChIKey of 2-butan-2-ylsulfanyl-1-(cycloocten-1-yl)ethanone?
The InChIKey is NMXNCGKQRVKNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OS/c1-3-12(2)16-11-14(15)13-9-7-5-4-6-8-10-13/h9,12H,3-8,10-11H2,1-2H3.
What are the key properties of 2-butan-2-ylsulfanyl-1-(cycloocten-1-yl)ethanone?
2-butan-2-ylsulfanyl-1-(cycloocten-1-yl)ethanone has a molecular weight of 240.41 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-1-(cycloocten-1-yl)ethanone is sourced from PubChem (CID 106651882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).