[(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanone

C15H20OS — CID 106655952

IUPAC[(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanone
SMILESCCc1ccc(C(=O)/C2=C/CCCCCC2)s1
InChIInChI=1S/C15H20OS/c1-2-13-10-11-14(17-13)15(16)12-8-6-4-3-5-7-9-12/h8,10-11H,2-7,9H2,1H3/b12-8+
InChIKeyVRQVFYXQIMBYRB-XYOKQWHBSA-N
MW248.39 g/mol
LogP4.77
Rot. Bonds3

About [(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanone

[(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanone (PubChem CID 106655952) has the molecular formula C15H20OS and a molecular weight of 248.39 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanone
PubChem CID106655952
Molecular FormulaC15H20OS
Molecular Weight248.39 g/mol
Exact Mass248.12
IUPAC Name[(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanone
SMILESCCc1ccc(C(=O)/C2=C/CCCCCC2)s1
InChIInChI=1S/C15H20OS/c1-2-13-10-11-14(17-13)15(16)12-8-6-4-3-5-7-9-12/h8,10-11H,2-7,9H2,1H3/b12-8+
InChIKeyVRQVFYXQIMBYRB-XYOKQWHBSA-N
XLogP4.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexen-1-yl-(5-ethylfuran-2-yl)methanone
CID 79096660
cycloocten-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 106655757
(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methanone
CID 43160962
cyclohepten-1-yl-(5-methylfuran-3-yl)methanone
CID 114819598
cyclohepten-1-yl-(4-methoxythiophen-2-yl)methanone
CID 81126725
ethyl cycloundecene-1-carboxylate
CID 154164177
cyclohexen-1-yl-(2-methylthiophen-3-yl)methanone
CID 103449971
[(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone
CID 106651753
cyclohexen-1-yl-(3-methylthiophen-2-yl)methanone
CID 62080304
cyclohepten-1-yl(furan-2-yl)methanone
CID 62080320
(5-ethylthiophen-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 43338856
(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methanone
CID 106655795

Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanone?
The IUPAC name of [(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanone (CID 106655952) is [(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanone.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanone?
The canonical SMILES for [(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanone is CCc1ccc(C(=O)/C2=C/CCCCCC2)s1.
What is the InChIKey of [(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanone?
The InChIKey is VRQVFYXQIMBYRB-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H20OS/c1-2-13-10-11-14(17-13)15(16)12-8-6-4-3-5-7-9-12/h8,10-11H,2-7,9H2,1H3/b12-8+.
What are the key properties of [(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanone?
[(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanone has a molecular weight of 248.39 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanone is sourced from PubChem (CID 106655952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).