(1E,3E)-1-iodonona-1,3-diene

C9H15I — CID 11096979

IUPAC(1E,3E)-1-iodonona-1,3-diene
SMILESCCCCC/C=C/C=C/I
InChIInChI=1S/C9H15I/c1-2-3-4-5-6-7-8-9-10/h6-9H,2-5H2,1H3/b7-6+,9-8+
InChIKeySMIDLNYYGOEOPW-BLHCBFLLSA-N
MW250.12 g/mol
LogP4.07
Rot. Bonds5

About (1E,3E)-1-iodonona-1,3-diene

(1E,3E)-1-iodonona-1,3-diene (PubChem CID 11096979) has the molecular formula C9H15I and a molecular weight of 250.12 g/mol. Its IUPAC name is (1E,3E)-1-iodonona-1,3-diene.

Molecular Properties

Compound Name(1E,3E)-1-iodonona-1,3-diene
PubChem CID11096979
Molecular FormulaC9H15I
Molecular Weight250.12 g/mol
Exact Mass250.02
IUPAC Name(1E,3E)-1-iodonona-1,3-diene
SMILESCCCCC/C=C/C=C/I
InChIInChI=1S/C9H15I/c1-2-3-4-5-6-7-8-9-10/h6-9H,2-5H2,1H3/b7-6+,9-8+
InChIKeySMIDLNYYGOEOPW-BLHCBFLLSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(6E)-octadeca-4,6-diene
CID 173243345
(E)-1-iodotetradec-1-ene
CID 11359152
1-iodooctadec-1-ene
CID 91510729
(E)-1-iodopentadec-1-ene
CID 13225447
1-iodotetradeca-3,5-diene
CID 168861549
1-bromotrideca-1,3-diene
CID 54061317
pentadeca-3,5,7,9-tetraene
CID 151958393
(5E,7E)-trideca-5,7-dien-1-ol
CID 10943429
(4E,6E)-1-chlorohexadeca-4,6-diene
CID 132820251

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-1-iodonona-1,3-diene?
The IUPAC name of (1E,3E)-1-iodonona-1,3-diene (CID 11096979) is (1E,3E)-1-iodonona-1,3-diene.
What is the SMILES notation for (1E,3E)-1-iodonona-1,3-diene?
The canonical SMILES for (1E,3E)-1-iodonona-1,3-diene is CCCCC/C=C/C=C/I.
What is the InChIKey of (1E,3E)-1-iodonona-1,3-diene?
The InChIKey is SMIDLNYYGOEOPW-BLHCBFLLSA-N. The full InChI is InChI=1S/C9H15I/c1-2-3-4-5-6-7-8-9-10/h6-9H,2-5H2,1H3/b7-6+,9-8+.
What are the key properties of (1E,3E)-1-iodonona-1,3-diene?
(1E,3E)-1-iodonona-1,3-diene has a molecular weight of 250.12 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-1-iodonona-1,3-diene is sourced from PubChem (CID 11096979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).