(3E)-3-ethyl-4-iodopenta-1,3-diene

C7H11I — CID 88557355

IUPAC(3E)-3-ethyl-4-iodopenta-1,3-diene
SMILESC=C/C(CC)=C(\C)I
InChIInChI=1S/C7H11I/c1-4-7(5-2)6(3)8/h4H,1,5H2,2-3H3/b7-6-
InChIKeyVFKFCZOKQGITGR-SREVYHEPSA-N
MW222.07 g/mol
LogP3.29
Rot. Bonds2

About (3E)-3-ethyl-4-iodopenta-1,3-diene

(3E)-3-ethyl-4-iodopenta-1,3-diene (PubChem CID 88557355) has the molecular formula C7H11I and a molecular weight of 222.07 g/mol. Its IUPAC name is (3E)-3-ethyl-4-iodopenta-1,3-diene.

Molecular Properties

Compound Name(3E)-3-ethyl-4-iodopenta-1,3-diene
PubChem CID88557355
Molecular FormulaC7H11I
Molecular Weight222.07 g/mol
Exact Mass221.99
IUPAC Name(3E)-3-ethyl-4-iodopenta-1,3-diene
SMILESC=C/C(CC)=C(\C)I
InChIInChI=1S/C7H11I/c1-4-7(5-2)6(3)8/h4H,1,5H2,2-3H3/b7-6-
InChIKeyVFKFCZOKQGITGR-SREVYHEPSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.07
LogP ≤ 53.29
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

(3E)-3-ethyl-4-methylhexa-1,3-diene;methane;propane
CID 143938090
3-ethyl-4-prop-1-en-2-ylhepta-1,3,6-triene
CID 141197740
ethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene
CID 142883433
(2E,4E)-3-ethylhepta-2,4,6-triene-2,5-diol
CID 142132997
(3Z,5Z)-3,4-diethylocta-1,3,5,7-tetraene;ethane
CID 162432866
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
(3E)-4-ethenyl-3-ethyl-5-methylhepta-1,3-diene
CID 143936258
ethane;(3E,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene
CID 145032190
ethane;(3Z,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene
CID 143972745
(3E,5E)-4,5-bis(ethenyl)-3-ethylocta-1,3,5,7-tetraene;ethane;methane;propane
CID 143435251
(3Z)-5-ethyl-6-methylhepta-1,3,5-triene
CID 143033929
methane;(Z)-3-methylpent-2-ene;prop-1-ene
CID 142993133

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethyl-4-iodopenta-1,3-diene?
The IUPAC name of (3E)-3-ethyl-4-iodopenta-1,3-diene (CID 88557355) is (3E)-3-ethyl-4-iodopenta-1,3-diene.
What is the SMILES notation for (3E)-3-ethyl-4-iodopenta-1,3-diene?
The canonical SMILES for (3E)-3-ethyl-4-iodopenta-1,3-diene is C=C/C(CC)=C(\C)I.
What is the InChIKey of (3E)-3-ethyl-4-iodopenta-1,3-diene?
The InChIKey is VFKFCZOKQGITGR-SREVYHEPSA-N. The full InChI is InChI=1S/C7H11I/c1-4-7(5-2)6(3)8/h4H,1,5H2,2-3H3/b7-6-.
What are the key properties of (3E)-3-ethyl-4-iodopenta-1,3-diene?
(3E)-3-ethyl-4-iodopenta-1,3-diene has a molecular weight of 222.07 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethyl-4-iodopenta-1,3-diene is sourced from PubChem (CID 88557355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).