(E)-1-iodo-2,4-dimethylpent-1-ene

C7H13I — CID 58173205

IUPAC(E)-1-iodo-2,4-dimethylpent-1-ene
SMILESC/C(=C\I)CC(C)C
InChIInChI=1S/C7H13I/c1-6(2)4-7(3)5-8/h5-6H,4H2,1-3H3/b7-5+
InChIKeyLDJLJEFWOKDYGS-FNORWQNLSA-N
MW224.08 g/mol
LogP3.37
Rot. Bonds2

About (E)-1-iodo-2,4-dimethylpent-1-ene

(E)-1-iodo-2,4-dimethylpent-1-ene (PubChem CID 58173205) has the molecular formula C7H13I and a molecular weight of 224.08 g/mol. Its IUPAC name is (E)-1-iodo-2,4-dimethylpent-1-ene.

Molecular Properties

Compound Name(E)-1-iodo-2,4-dimethylpent-1-ene
PubChem CID58173205
Molecular FormulaC7H13I
Molecular Weight224.08 g/mol
Exact Mass224.01
IUPAC Name(E)-1-iodo-2,4-dimethylpent-1-ene
SMILESC/C(=C\I)CC(C)C
InChIInChI=1S/C7H13I/c1-6(2)4-7(3)5-8/h5-6H,4H2,1-3H3/b7-5+
InChIKeyLDJLJEFWOKDYGS-FNORWQNLSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.08
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-iodo-2,4-dimethylpent-1-ene?
The IUPAC name of (E)-1-iodo-2,4-dimethylpent-1-ene (CID 58173205) is (E)-1-iodo-2,4-dimethylpent-1-ene.
What is the SMILES notation for (E)-1-iodo-2,4-dimethylpent-1-ene?
The canonical SMILES for (E)-1-iodo-2,4-dimethylpent-1-ene is C/C(=C\I)CC(C)C.
What is the InChIKey of (E)-1-iodo-2,4-dimethylpent-1-ene?
The InChIKey is LDJLJEFWOKDYGS-FNORWQNLSA-N. The full InChI is InChI=1S/C7H13I/c1-6(2)4-7(3)5-8/h5-6H,4H2,1-3H3/b7-5+.
What are the key properties of (E)-1-iodo-2,4-dimethylpent-1-ene?
(E)-1-iodo-2,4-dimethylpent-1-ene has a molecular weight of 224.08 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-iodo-2,4-dimethylpent-1-ene is sourced from PubChem (CID 58173205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).