3-iodohex-3-ene;penta-1,3-diene

C11H19I — CID 173447281

IUPAC3-iodohex-3-ene;penta-1,3-diene
SMILESC=CC=CC.CCC=C(I)CC
InChIInChI=1S/C6H11I.C5H8/c1-3-5-6(7)4-2;1-3-5-4-2/h5H,3-4H2,1-2H3;3-5H,1H2,2H3
InChIKeyDUUKJZWCRVEIOM-UHFFFAOYSA-N
MW278.18 g/mol
LogP4.87
Rot. Bonds3

About 3-iodohex-3-ene;penta-1,3-diene

3-iodohex-3-ene;penta-1,3-diene (PubChem CID 173447281) has the molecular formula C11H19I and a molecular weight of 278.18 g/mol. Its IUPAC name is 3-iodohex-3-ene;penta-1,3-diene.

Molecular Properties

Compound Name3-iodohex-3-ene;penta-1,3-diene
PubChem CID173447281
Molecular FormulaC11H19I
Molecular Weight278.18 g/mol
Exact Mass278.05
IUPAC Name3-iodohex-3-ene;penta-1,3-diene
SMILESC=CC=CC.CCC=C(I)CC
InChIInChI=1S/C6H11I.C5H8/c1-3-5-6(7)4-2;1-3-5-4-2/h5H,3-4H2,1-2H3;3-5H,1H2,2H3
InChIKeyDUUKJZWCRVEIOM-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methane;(3E)-penta-1,3-diene;propane
CID 143129609
ethane;penta-1,3-diene;propane
CID 143367111
(3E)-penta-1,3-diene
CID 71777643
3-methylidenepent-1-ene;penta-1,3-diene
CID 158839725
ethane;(3Z)-penta-1,3-diene;propane;prop-1-ene
CID 142061994
(Z)-but-2-ene;ethane;(3Z)-penta-1,3-diene;propane
CID 142056064
methane;penta-1,3-diene;pent-2-ene
CID 158883793
(3E)-penta-1,3-diene;hydrochloride
CID 87892930
(3E)-penta-1,3-diene;titanium(2+)
CID 22149558
2-methylbut-2-ene;(3E)-penta-1,3-diene
CID 6441481
penta-1,3-diene;zirconium(2+);dichloride
CID 172770091
methylsilane;penta-1,3-diene
CID 157171521

Frequently Asked Questions

What is the IUPAC name of 3-iodohex-3-ene;penta-1,3-diene?
The IUPAC name of 3-iodohex-3-ene;penta-1,3-diene (CID 173447281) is 3-iodohex-3-ene;penta-1,3-diene.
What is the SMILES notation for 3-iodohex-3-ene;penta-1,3-diene?
The canonical SMILES for 3-iodohex-3-ene;penta-1,3-diene is C=CC=CC.CCC=C(I)CC.
What is the InChIKey of 3-iodohex-3-ene;penta-1,3-diene?
The InChIKey is DUUKJZWCRVEIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11I.C5H8/c1-3-5-6(7)4-2;1-3-5-4-2/h5H,3-4H2,1-2H3;3-5H,1H2,2H3.
What are the key properties of 3-iodohex-3-ene;penta-1,3-diene?
3-iodohex-3-ene;penta-1,3-diene has a molecular weight of 278.18 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodohex-3-ene;penta-1,3-diene is sourced from PubChem (CID 173447281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).