1-iodo-4-propan-2-ylideneoct-1-ene

C11H19I — CID 173431402

IUPAC1-iodo-4-propan-2-ylideneoct-1-ene
SMILESCCCCC(CC=CI)=C(C)C
InChIInChI=1S/C11H19I/c1-4-5-7-11(10(2)3)8-6-9-12/h6,9H,4-5,7-8H2,1-3H3
InChIKeyGPNUJNLQBQFKHG-UHFFFAOYSA-N
MW278.18 g/mol
LogP4.85
Rot. Bonds5

About 1-iodo-4-propan-2-ylideneoct-1-ene

1-iodo-4-propan-2-ylideneoct-1-ene (PubChem CID 173431402) has the molecular formula C11H19I and a molecular weight of 278.18 g/mol. Its IUPAC name is 1-iodo-4-propan-2-ylideneoct-1-ene.

Molecular Properties

Compound Name1-iodo-4-propan-2-ylideneoct-1-ene
PubChem CID173431402
Molecular FormulaC11H19I
Molecular Weight278.18 g/mol
Exact Mass278.05
IUPAC Name1-iodo-4-propan-2-ylideneoct-1-ene
SMILESCCCCC(CC=CI)=C(C)C
InChIInChI=1S/C11H19I/c1-4-5-7-11(10(2)3)8-6-9-12/h6,9H,4-5,7-8H2,1-3H3
InChIKeyGPNUJNLQBQFKHG-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-propan-2-ylidenenon-2-ene
CID 151139066
2-methyloct-2-en-4-one
CID 29838
4-butylocta-3,5-diene-2,7-dione;dihydrochloride
CID 174870243
5,6-dibutyltetradec-5-ene
CID 19866346
(E)-non-2-en-5-one
CID 15142787
3-butyl-2-iodohept-2-enal
CID 134996116
(E)-1-iodotetradec-1-ene
CID 11359152
1-iodooctadec-1-ene
CID 91510729
(E)-1-iodopentadec-1-ene
CID 13225447
acetamide;pentanamide;dihydrochloride
CID 141201232
carbonic acid;2,3-dimethylhept-2-ene
CID 159232241
(E)-3-methyl-4-propyloct-3-ene
CID 57107532

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-propan-2-ylideneoct-1-ene?
The IUPAC name of 1-iodo-4-propan-2-ylideneoct-1-ene (CID 173431402) is 1-iodo-4-propan-2-ylideneoct-1-ene.
What is the SMILES notation for 1-iodo-4-propan-2-ylideneoct-1-ene?
The canonical SMILES for 1-iodo-4-propan-2-ylideneoct-1-ene is CCCCC(CC=CI)=C(C)C.
What is the InChIKey of 1-iodo-4-propan-2-ylideneoct-1-ene?
The InChIKey is GPNUJNLQBQFKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19I/c1-4-5-7-11(10(2)3)8-6-9-12/h6,9H,4-5,7-8H2,1-3H3.
What are the key properties of 1-iodo-4-propan-2-ylideneoct-1-ene?
1-iodo-4-propan-2-ylideneoct-1-ene has a molecular weight of 278.18 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-propan-2-ylideneoct-1-ene is sourced from PubChem (CID 173431402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).