9-bromo-1-iodonon-2-ene

C9H16BrI — CID 171472261

IUPAC9-bromo-1-iodonon-2-ene
SMILESBrCCCCCCC=CCI
InChIInChI=1S/C9H16BrI/c10-8-6-4-2-1-3-5-7-9-11/h5,7H,1-4,6,8-9H2
InChIKeySXRYEHKRDJVFHU-UHFFFAOYSA-N
MW331.04 g/mol
LogP4.32
Rot. Bonds7

About 9-bromo-1-iodonon-2-ene

9-bromo-1-iodonon-2-ene (PubChem CID 171472261) has the molecular formula C9H16BrI and a molecular weight of 331.04 g/mol. Its IUPAC name is 9-bromo-1-iodonon-2-ene.

Molecular Properties

Compound Name9-bromo-1-iodonon-2-ene
PubChem CID171472261
Molecular FormulaC9H16BrI
Molecular Weight331.04 g/mol
Exact Mass329.95
IUPAC Name9-bromo-1-iodonon-2-ene
SMILESBrCCCCCCC=CCI
InChIInChI=1S/C9H16BrI/c10-8-6-4-2-1-3-5-7-9-11/h5,7H,1-4,6,8-9H2
InChIKeySXRYEHKRDJVFHU-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.04
LogP ≤ 54.32
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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10-bromo-1-(10-bromodec-3-enoxy)dec-3-ene
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1-bromo-9-iodonona-2,7-diene
CID 74322499
(E)-1,6-dibromohex-1-ene
CID 14774978
1,7-dibromohept-2-ene
CID 171472304
(E)-1-iodopentadec-2-ene
CID 11099754
(E)-12-bromododec-3-ene
CID 20561604
(Z)-12-bromododec-3-en-1-ol
CID 163205087
(E)-17-bromoheptadec-3-en-1-ol
CID 163204836
(Z)-16-bromohexadec-5-ene
CID 11645149

Frequently Asked Questions

What is the IUPAC name of 9-bromo-1-iodonon-2-ene?
The IUPAC name of 9-bromo-1-iodonon-2-ene (CID 171472261) is 9-bromo-1-iodonon-2-ene.
What is the SMILES notation for 9-bromo-1-iodonon-2-ene?
The canonical SMILES for 9-bromo-1-iodonon-2-ene is BrCCCCCCC=CCI.
What is the InChIKey of 9-bromo-1-iodonon-2-ene?
The InChIKey is SXRYEHKRDJVFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrI/c10-8-6-4-2-1-3-5-7-9-11/h5,7H,1-4,6,8-9H2.
What are the key properties of 9-bromo-1-iodonon-2-ene?
9-bromo-1-iodonon-2-ene has a molecular weight of 331.04 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-1-iodonon-2-ene is sourced from PubChem (CID 171472261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).