(E)-4-iodo-5-methyloct-4-ene

C9H17I — CID 11172785

IUPAC(E)-4-iodo-5-methyloct-4-ene
SMILESCCC/C(C)=C(/I)CCC
InChIInChI=1S/C9H17I/c1-4-6-8(3)9(10)7-5-2/h4-7H2,1-3H3/b9-8+
InChIKeyFWWAGJVPSDRBCE-CMDGGOBGSA-N
MW252.14 g/mol
LogP4.30
Rot. Bonds4

About (E)-4-iodo-5-methyloct-4-ene

(E)-4-iodo-5-methyloct-4-ene (PubChem CID 11172785) has the molecular formula C9H17I and a molecular weight of 252.14 g/mol. Its IUPAC name is (E)-4-iodo-5-methyloct-4-ene.

Molecular Properties

Compound Name(E)-4-iodo-5-methyloct-4-ene
PubChem CID11172785
Molecular FormulaC9H17I
Molecular Weight252.14 g/mol
Exact Mass252.04
IUPAC Name(E)-4-iodo-5-methyloct-4-ene
SMILESCCC/C(C)=C(/I)CCC
InChIInChI=1S/C9H17I/c1-4-6-8(3)9(10)7-5-2/h4-7H2,1-3H3/b9-8+
InChIKeyFWWAGJVPSDRBCE-CMDGGOBGSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 54.30
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

2,3-Dimethyl-2-hexene
CID 23528
(6E)-9-iodo-2,6-dimethylnona-2,6-diene
CID 10731263
(Z)-4,5-dimethyloct-4-ene
CID 12714363
3,4-Dimethyl-3-heptene
CID 137817
(1E,5E)-1-iodo-2,6,10-trimethylundeca-1,5,9-triene
CID 9973148
2-Heptene, 6-iodo-2-methyl-
CID 11085819
(2E)-1-iodo-3,7-dimethylocta-2,6-diene
CID 11086623
(1E)-1-iodo-2,6-dimethyl-1,5-heptadiene
CID 11357128
(2E,6E)-1-Iodo-3,7,11-trimethyldodeca-2,6,10-triene
CID 12164044
1-Iodo-2-methylcyclopentene
CID 13999300
2,3,5,6-Tetramethylhepta-2,5-diene
CID 18683698
Farnesyl iodide
CID 71322111

Frequently Asked Questions

What is the IUPAC name of (E)-4-iodo-5-methyloct-4-ene?
The IUPAC name of (E)-4-iodo-5-methyloct-4-ene (CID 11172785) is (E)-4-iodo-5-methyloct-4-ene.
What is the SMILES notation for (E)-4-iodo-5-methyloct-4-ene?
The canonical SMILES for (E)-4-iodo-5-methyloct-4-ene is CCC/C(C)=C(/I)CCC.
What is the InChIKey of (E)-4-iodo-5-methyloct-4-ene?
The InChIKey is FWWAGJVPSDRBCE-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H17I/c1-4-6-8(3)9(10)7-5-2/h4-7H2,1-3H3/b9-8+.
What are the key properties of (E)-4-iodo-5-methyloct-4-ene?
(E)-4-iodo-5-methyloct-4-ene has a molecular weight of 252.14 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-iodo-5-methyloct-4-ene is sourced from PubChem (CID 11172785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).