1-bromo-9-iodonona-2,7-diene

C9H14BrI — CID 74322499

IUPAC1-bromo-9-iodonona-2,7-diene
SMILESBrCC=CCCCC=CCI
InChIInChI=1S/C9H14BrI/c10-8-6-4-2-1-3-5-7-9-11/h4-7H,1-3,8-9H2
InChIKeyJOVQQPPEKJKCNZ-UHFFFAOYSA-N
MW329.02 g/mol
LogP4.10
Rot. Bonds6

About 1-bromo-9-iodonona-2,7-diene

1-bromo-9-iodonona-2,7-diene (PubChem CID 74322499) has the molecular formula C9H14BrI and a molecular weight of 329.02 g/mol. Its IUPAC name is 1-bromo-9-iodonona-2,7-diene.

Molecular Properties

Compound Name1-bromo-9-iodonona-2,7-diene
PubChem CID74322499
Molecular FormulaC9H14BrI
Molecular Weight329.02 g/mol
Exact Mass327.93
IUPAC Name1-bromo-9-iodonona-2,7-diene
SMILESBrCC=CCCCC=CCI
InChIInChI=1S/C9H14BrI/c10-8-6-4-2-1-3-5-7-9-11/h4-7H,1-3,8-9H2
InChIKeyJOVQQPPEKJKCNZ-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.02
LogP ≤ 54.10
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'}

Analyze 1-bromo-9-iodonona-2,7-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-bromo-1-iodonon-2-ene
CID 171472261
1-chloro-9-iodonona-2,7-diene
CID 74322498
1,7-dibromohept-2-ene
CID 171472304
1,12-dibromododec-2-ene
CID 54440565
1-bromononadec-2-ene
CID 174854290
(E)-1-iodopentadec-2-ene
CID 11099754
1-bromo-12-chlorododeca-2,10-diene
CID 74322485
1-bromonon-2-ene
CID 54029005
(E)-1-iodo-7-methyloct-2-ene
CID 139749748
(2E,5E)-1-bromoundeca-2,5-diene
CID 13055613
(E)-7-bromohept-5-enoic acid
CID 21298898
(Z)-7-iodohept-5-enoic acid
CID 88643089

Frequently Asked Questions

What is the IUPAC name of 1-bromo-9-iodonona-2,7-diene?
The IUPAC name of 1-bromo-9-iodonona-2,7-diene (CID 74322499) is 1-bromo-9-iodonona-2,7-diene.
What is the SMILES notation for 1-bromo-9-iodonona-2,7-diene?
The canonical SMILES for 1-bromo-9-iodonona-2,7-diene is BrCC=CCCCC=CCI.
What is the InChIKey of 1-bromo-9-iodonona-2,7-diene?
The InChIKey is JOVQQPPEKJKCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrI/c10-8-6-4-2-1-3-5-7-9-11/h4-7H,1-3,8-9H2.
What are the key properties of 1-bromo-9-iodonona-2,7-diene?
1-bromo-9-iodonona-2,7-diene has a molecular weight of 329.02 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-9-iodonona-2,7-diene is sourced from PubChem (CID 74322499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).