9-bromononylcyclopropane

C12H23Br — CID 11368610

IUPAC9-bromononylcyclopropane
SMILESBrCCCCCCCCCC1CC1
InChIInChI=1S/C12H23Br/c13-11-7-5-3-1-2-4-6-8-12-9-10-12/h12H,1-11H2
InChIKeyVIRUBKPQHCGVOW-UHFFFAOYSA-N
MW247.22 g/mol
LogP4.91
Rot. Bonds9

About 9-bromononylcyclopropane

9-bromononylcyclopropane (PubChem CID 11368610) has the molecular formula C12H23Br and a molecular weight of 247.22 g/mol. Its IUPAC name is 9-bromononylcyclopropane.

Molecular Properties

Compound Name9-bromononylcyclopropane
PubChem CID11368610
Molecular FormulaC12H23Br
Molecular Weight247.22 g/mol
Exact Mass246.10
IUPAC Name9-bromononylcyclopropane
SMILESBrCCCCCCCCCC1CC1
InChIInChI=1S/C12H23Br/c13-11-7-5-3-1-2-4-6-8-12-9-10-12/h12H,1-11H2
InChIKeyVIRUBKPQHCGVOW-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 9-bromononylcyclopropane?
The IUPAC name of 9-bromononylcyclopropane (CID 11368610) is 9-bromononylcyclopropane.
What is the SMILES notation for 9-bromononylcyclopropane?
The canonical SMILES for 9-bromononylcyclopropane is BrCCCCCCCCCC1CC1.
What is the InChIKey of 9-bromononylcyclopropane?
The InChIKey is VIRUBKPQHCGVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23Br/c13-11-7-5-3-1-2-4-6-8-12-9-10-12/h12H,1-11H2.
What are the key properties of 9-bromononylcyclopropane?
9-bromononylcyclopropane has a molecular weight of 247.22 g/mol, XLogP of 4.91, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromononylcyclopropane is sourced from PubChem (CID 11368610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).