(E)-5-ethyl-6-iododec-5-ene

C12H23I — CID 12939513

IUPAC(E)-5-ethyl-6-iododec-5-ene
SMILESCCCC/C(I)=C(/CC)CCCC
InChIInChI=1S/C12H23I/c1-4-7-9-11(6-3)12(13)10-8-5-2/h4-10H2,1-3H3/b12-11+
InChIKeyZKTSSERETOEZOO-VAWYXSNFSA-N
MW294.22 g/mol
LogP5.47
Rot. Bonds7

About (E)-5-ethyl-6-iododec-5-ene

(E)-5-ethyl-6-iododec-5-ene (PubChem CID 12939513) has the molecular formula C12H23I and a molecular weight of 294.22 g/mol. Its IUPAC name is (E)-5-ethyl-6-iododec-5-ene.

Molecular Properties

Compound Name(E)-5-ethyl-6-iododec-5-ene
PubChem CID12939513
Molecular FormulaC12H23I
Molecular Weight294.22 g/mol
Exact Mass294.08
IUPAC Name(E)-5-ethyl-6-iododec-5-ene
SMILESCCCC/C(I)=C(/CC)CCCC
InChIInChI=1S/C12H23I/c1-4-7-9-11(6-3)12(13)10-8-5-2/h4-10H2,1-3H3/b12-11+
InChIKeyZKTSSERETOEZOO-VAWYXSNFSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.22
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Heptene, 2,3-dimethyl-
CID 137816
2-Octene, 2,3-dimethyl-
CID 140599
3-Ethyl-2-methyloct-2-ene
CID 85682407
2,3,6,7-Tetramethylocta-2,6-diene
CID 13378707
2-Methyl-3-ethyl-2-heptene
CID 140589
5-(2-Fluoro-1-iodoethylidene)nonane
CID 125489824
5-Butyl-6-methyldec-5-ene
CID 17995259
Trimethylnonene
CID 19373828
4,5-Dipropyl-4-octene
CID 143530
1-Iodo-2-methylcyclohexene
CID 521002
(1Z)-1,2-dimethylcyclododecene
CID 12511103
2,3-Dimethylundec-2-ene
CID 13347156

Frequently Asked Questions

What is the IUPAC name of (E)-5-ethyl-6-iododec-5-ene?
The IUPAC name of (E)-5-ethyl-6-iododec-5-ene (CID 12939513) is (E)-5-ethyl-6-iododec-5-ene.
What is the SMILES notation for (E)-5-ethyl-6-iododec-5-ene?
The canonical SMILES for (E)-5-ethyl-6-iododec-5-ene is CCCC/C(I)=C(/CC)CCCC.
What is the InChIKey of (E)-5-ethyl-6-iododec-5-ene?
The InChIKey is ZKTSSERETOEZOO-VAWYXSNFSA-N. The full InChI is InChI=1S/C12H23I/c1-4-7-9-11(6-3)12(13)10-8-5-2/h4-10H2,1-3H3/b12-11+.
What are the key properties of (E)-5-ethyl-6-iododec-5-ene?
(E)-5-ethyl-6-iododec-5-ene has a molecular weight of 294.22 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-ethyl-6-iododec-5-ene is sourced from PubChem (CID 12939513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).