11-iodoundeca-2,4-diene

C11H19I — CID 168861625

IUPAC11-iodoundeca-2,4-diene
SMILESCC=CC=CCCCCCCI
InChIInChI=1S/C11H19I/c1-2-3-4-5-6-7-8-9-10-11-12/h2-5H,6-11H2,1H3
InChIKeyLZCHFWBHMKOPFR-UHFFFAOYSA-N
MW278.18 g/mol
LogP4.50
Rot. Bonds7

About 11-iodoundeca-2,4-diene

11-iodoundeca-2,4-diene (PubChem CID 168861625) has the molecular formula C11H19I and a molecular weight of 278.18 g/mol. Its IUPAC name is 11-iodoundeca-2,4-diene.

Molecular Properties

Compound Name11-iodoundeca-2,4-diene
PubChem CID168861625
Molecular FormulaC11H19I
Molecular Weight278.18 g/mol
Exact Mass278.05
IUPAC Name11-iodoundeca-2,4-diene
SMILESCC=CC=CCCCCCCI
InChIInChI=1S/C11H19I/c1-2-3-4-5-6-7-8-9-10-11-12/h2-5H,6-11H2,1H3
InChIKeyLZCHFWBHMKOPFR-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 54.50
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(5Z,7E)-16-iodohexadeca-5,7-diene
CID 146189479
15-iodopentadeca-5,7-diene
CID 151726430
(5E,7E)-13-iodotrideca-5,7-diene
CID 146189527
11-chloroundeca-2,4-diene
CID 168861619
11-bromoundeca-2,4-diene
CID 168861580
(10E,12E)-hexadeca-10,12,14-trien-1-ol
CID 134532994
10-iododeca-1,3-diene
CID 168861651
(2E,4E,6E)-dodeca-2,4,6-triene
CID 10975832
(2E,4E)-8-chloroocta-2,4-diene
CID 55302573
1-iodotetradeca-3,5-diene
CID 168861549
1-iodooctadec-9-ene
CID 54335448
trideca-2,4,6,8-tetraene
CID 54117998

Frequently Asked Questions

What is the IUPAC name of 11-iodoundeca-2,4-diene?
The IUPAC name of 11-iodoundeca-2,4-diene (CID 168861625) is 11-iodoundeca-2,4-diene.
What is the SMILES notation for 11-iodoundeca-2,4-diene?
The canonical SMILES for 11-iodoundeca-2,4-diene is CC=CC=CCCCCCCI.
What is the InChIKey of 11-iodoundeca-2,4-diene?
The InChIKey is LZCHFWBHMKOPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19I/c1-2-3-4-5-6-7-8-9-10-11-12/h2-5H,6-11H2,1H3.
What are the key properties of 11-iodoundeca-2,4-diene?
11-iodoundeca-2,4-diene has a molecular weight of 278.18 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-iodoundeca-2,4-diene is sourced from PubChem (CID 168861625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).