9-iodonona-1,5-diene

C9H15I — CID 163737903

IUPAC9-iodonona-1,5-diene
SMILESC=CCCC=CCCCI
InChIInChI=1S/C9H15I/c1-2-3-4-5-6-7-8-9-10/h2,5-6H,1,3-4,7-9H2
InChIKeyLFFVLIOGZWZDDM-UHFFFAOYSA-N
MW250.12 g/mol
LogP3.72
Rot. Bonds6

About 9-iodonona-1,5-diene

9-iodonona-1,5-diene (PubChem CID 163737903) has the molecular formula C9H15I and a molecular weight of 250.12 g/mol. Its IUPAC name is 9-iodonona-1,5-diene.

Molecular Properties

Compound Name9-iodonona-1,5-diene
PubChem CID163737903
Molecular FormulaC9H15I
Molecular Weight250.12 g/mol
Exact Mass250.02
IUPAC Name9-iodonona-1,5-diene
SMILESC=CCCC=CCCCI
InChIInChI=1S/C9H15I/c1-2-3-4-5-6-7-8-9-10/h2,5-6H,1,3-4,7-9H2
InChIKeyLFFVLIOGZWZDDM-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 53.72
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

(5E)-deca-1,5,9-triene
CID 5362636
dodeca-1,6,11-triene
CID 548864
7-iodohept-1-ene
CID 10632882
pentadeca-1,5,9-triene
CID 174048710
(5E)-deca-5,9-dien-1-amine
CID 144887868
heptahexaconta-1,23,66-triene
CID 57275880
icosa-1,9,19-triene
CID 57001912
heptadeca-12,16-dienal
CID 141026254
hexadeca-1,5,13-triene
CID 174048718
(2E,7E)-dodeca-2,7,11-trienenitrile
CID 101282338
(3E,9E)-tetradeca-3,9,13-trienenitrile
CID 101282520
5-iodopent-1-enylboronic acid
CID 54539048

Frequently Asked Questions

What is the IUPAC name of 9-iodonona-1,5-diene?
The IUPAC name of 9-iodonona-1,5-diene (CID 163737903) is 9-iodonona-1,5-diene.
What is the SMILES notation for 9-iodonona-1,5-diene?
The canonical SMILES for 9-iodonona-1,5-diene is C=CCCC=CCCCI.
What is the InChIKey of 9-iodonona-1,5-diene?
The InChIKey is LFFVLIOGZWZDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15I/c1-2-3-4-5-6-7-8-9-10/h2,5-6H,1,3-4,7-9H2.
What are the key properties of 9-iodonona-1,5-diene?
9-iodonona-1,5-diene has a molecular weight of 250.12 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-iodonona-1,5-diene is sourced from PubChem (CID 163737903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).