1-[(1E)-cycloocten-1-yl]ethanone

C10H16O — CID 12697181

IUPAC1-[(1E)-cycloocten-1-yl]ethanone
SMILESCC(=O)/C1=C/CCCCCC1
InChIInChI=1S/C10H16O/c1-9(11)10-7-5-3-2-4-6-8-10/h7H,2-6,8H2,1H3/b10-7+
InChIKeyOTTUWUUZYZNZJD-JXMROGBWSA-N
MW152.24 g/mol
LogP2.86
Rot. Bonds1

About 1-[(1E)-cycloocten-1-yl]ethanone

1-[(1E)-cycloocten-1-yl]ethanone (PubChem CID 12697181) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-[(1E)-cycloocten-1-yl]ethanone.

Molecular Properties

Compound Name1-[(1E)-cycloocten-1-yl]ethanone
PubChem CID12697181
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-[(1E)-cycloocten-1-yl]ethanone
SMILESCC(=O)/C1=C/CCCCCC1
InChIInChI=1S/C10H16O/c1-9(11)10-7-5-3-2-4-6-8-10/h7H,2-6,8H2,1H3/b10-7+
InChIKeyOTTUWUUZYZNZJD-JXMROGBWSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-cycloocten-1-yl]ethanone?
The IUPAC name of 1-[(1E)-cycloocten-1-yl]ethanone (CID 12697181) is 1-[(1E)-cycloocten-1-yl]ethanone.
What is the SMILES notation for 1-[(1E)-cycloocten-1-yl]ethanone?
The canonical SMILES for 1-[(1E)-cycloocten-1-yl]ethanone is CC(=O)/C1=C/CCCCCC1.
What is the InChIKey of 1-[(1E)-cycloocten-1-yl]ethanone?
The InChIKey is OTTUWUUZYZNZJD-JXMROGBWSA-N. The full InChI is InChI=1S/C10H16O/c1-9(11)10-7-5-3-2-4-6-8-10/h7H,2-6,8H2,1H3/b10-7+.
What are the key properties of 1-[(1E)-cycloocten-1-yl]ethanone?
1-[(1E)-cycloocten-1-yl]ethanone has a molecular weight of 152.24 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-cycloocten-1-yl]ethanone is sourced from PubChem (CID 12697181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).