(3E)-4-iodo-2,3-dimethylpenta-1,3-diene

C7H11I — CID 88557354

IUPAC(3E)-4-iodo-2,3-dimethylpenta-1,3-diene
SMILESC=C(C)/C(C)=C(\C)I
InChIInChI=1S/C7H11I/c1-5(2)6(3)7(4)8/h1H2,2-4H3/b7-6+
InChIKeyMIDMTMWKUUKRHP-VOTSOKGWSA-N
MW222.07 g/mol
LogP3.29
Rot. Bonds1

About (3E)-4-iodo-2,3-dimethylpenta-1,3-diene

(3E)-4-iodo-2,3-dimethylpenta-1,3-diene (PubChem CID 88557354) has the molecular formula C7H11I and a molecular weight of 222.07 g/mol. Its IUPAC name is (3E)-4-iodo-2,3-dimethylpenta-1,3-diene.

Molecular Properties

Compound Name(3E)-4-iodo-2,3-dimethylpenta-1,3-diene
PubChem CID88557354
Molecular FormulaC7H11I
Molecular Weight222.07 g/mol
Exact Mass221.99
IUPAC Name(3E)-4-iodo-2,3-dimethylpenta-1,3-diene
SMILESC=C(C)/C(C)=C(\C)I
InChIInChI=1S/C7H11I/c1-5(2)6(3)7(4)8/h1H2,2-4H3/b7-6+
InChIKeyMIDMTMWKUUKRHP-VOTSOKGWSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of (3E)-4-iodo-2,3-dimethylpenta-1,3-diene?
The IUPAC name of (3E)-4-iodo-2,3-dimethylpenta-1,3-diene (CID 88557354) is (3E)-4-iodo-2,3-dimethylpenta-1,3-diene.
What is the SMILES notation for (3E)-4-iodo-2,3-dimethylpenta-1,3-diene?
The canonical SMILES for (3E)-4-iodo-2,3-dimethylpenta-1,3-diene is C=C(C)/C(C)=C(\C)I.
What is the InChIKey of (3E)-4-iodo-2,3-dimethylpenta-1,3-diene?
The InChIKey is MIDMTMWKUUKRHP-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H11I/c1-5(2)6(3)7(4)8/h1H2,2-4H3/b7-6+.
What are the key properties of (3E)-4-iodo-2,3-dimethylpenta-1,3-diene?
(3E)-4-iodo-2,3-dimethylpenta-1,3-diene has a molecular weight of 222.07 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-iodo-2,3-dimethylpenta-1,3-diene is sourced from PubChem (CID 88557354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).