3-cyclooctylprop-1-en-1-one

C11H18O — CID 19699923

IUPAC3-cyclooctylprop-1-en-1-one
SMILESO=C=CCC1CCCCCCC1
InChIInChI=1S/C11H18O/c12-10-6-9-11-7-4-2-1-3-5-8-11/h6,11H,1-5,7-9H2
InChIKeyJUTMPJUDVOTNLU-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.12
Rot. Bonds2

About 3-cyclooctylprop-1-en-1-one

3-cyclooctylprop-1-en-1-one (PubChem CID 19699923) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 3-cyclooctylprop-1-en-1-one.

Molecular Properties

Compound Name3-cyclooctylprop-1-en-1-one
PubChem CID19699923
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name3-cyclooctylprop-1-en-1-one
SMILESO=C=CCC1CCCCCCC1
InChIInChI=1S/C11H18O/c12-10-6-9-11-7-4-2-1-3-5-8-11/h6,11H,1-5,7-9H2
InChIKeyJUTMPJUDVOTNLU-UHFFFAOYSA-N
XLogP3.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclooctylprop-1-en-1-one?
The IUPAC name of 3-cyclooctylprop-1-en-1-one (CID 19699923) is 3-cyclooctylprop-1-en-1-one.
What is the SMILES notation for 3-cyclooctylprop-1-en-1-one?
The canonical SMILES for 3-cyclooctylprop-1-en-1-one is O=C=CCC1CCCCCCC1.
What is the InChIKey of 3-cyclooctylprop-1-en-1-one?
The InChIKey is JUTMPJUDVOTNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c12-10-6-9-11-7-4-2-1-3-5-8-11/h6,11H,1-5,7-9H2.
What are the key properties of 3-cyclooctylprop-1-en-1-one?
3-cyclooctylprop-1-en-1-one has a molecular weight of 166.26 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclooctylprop-1-en-1-one is sourced from PubChem (CID 19699923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).