2-(9-bromononyl)cyclobutan-1-one

C13H23BrO — CID 138974792

IUPAC2-(9-bromononyl)cyclobutan-1-one
SMILESO=C1CCC1CCCCCCCCCBr
InChIInChI=1S/C13H23BrO/c14-11-7-5-3-1-2-4-6-8-12-9-10-13(12)15/h12H,1-11H2
InChIKeyCOUPVLVHKUOOAA-UHFFFAOYSA-N
MW275.23 g/mol
LogP4.48
Rot. Bonds9

About 2-(9-bromononyl)cyclobutan-1-one

2-(9-bromononyl)cyclobutan-1-one (PubChem CID 138974792) has the molecular formula C13H23BrO and a molecular weight of 275.23 g/mol. Its IUPAC name is 2-(9-bromononyl)cyclobutan-1-one.

Molecular Properties

Compound Name2-(9-bromononyl)cyclobutan-1-one
PubChem CID138974792
Molecular FormulaC13H23BrO
Molecular Weight275.23 g/mol
Exact Mass274.09
IUPAC Name2-(9-bromononyl)cyclobutan-1-one
SMILESO=C1CCC1CCCCCCCCCBr
InChIInChI=1S/C13H23BrO/c14-11-7-5-3-1-2-4-6-8-12-9-10-13(12)15/h12H,1-11H2
InChIKeyCOUPVLVHKUOOAA-UHFFFAOYSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(9-bromononyl)cyclobutan-1-one?
The IUPAC name of 2-(9-bromononyl)cyclobutan-1-one (CID 138974792) is 2-(9-bromononyl)cyclobutan-1-one.
What is the SMILES notation for 2-(9-bromononyl)cyclobutan-1-one?
The canonical SMILES for 2-(9-bromononyl)cyclobutan-1-one is O=C1CCC1CCCCCCCCCBr.
What is the InChIKey of 2-(9-bromononyl)cyclobutan-1-one?
The InChIKey is COUPVLVHKUOOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrO/c14-11-7-5-3-1-2-4-6-8-12-9-10-13(12)15/h12H,1-11H2.
What are the key properties of 2-(9-bromononyl)cyclobutan-1-one?
2-(9-bromononyl)cyclobutan-1-one has a molecular weight of 275.23 g/mol, XLogP of 4.48, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-bromononyl)cyclobutan-1-one is sourced from PubChem (CID 138974792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).