2-iodo-3-methylbut-1-ene

C5H9I — CID 89010345

IUPAC2-iodo-3-methylbut-1-ene
SMILESC=C(I)C(C)C
InChIInChI=1S/C5H9I/c1-4(2)5(3)6/h4H,3H2,1-2H3
InChIKeyCANSBURCNZVPMJ-UHFFFAOYSA-N
MW196.03 g/mol
LogP2.59
Rot. Bonds1

About 2-iodo-3-methylbut-1-ene

2-iodo-3-methylbut-1-ene (PubChem CID 89010345) has the molecular formula C5H9I and a molecular weight of 196.03 g/mol. Its IUPAC name is 2-iodo-3-methylbut-1-ene.

Molecular Properties

Compound Name2-iodo-3-methylbut-1-ene
PubChem CID89010345
Molecular FormulaC5H9I
Molecular Weight196.03 g/mol
Exact Mass195.97
IUPAC Name2-iodo-3-methylbut-1-ene
SMILESC=C(I)C(C)C
InChIInChI=1S/C5H9I/c1-4(2)5(3)6/h4H,3H2,1-2H3
InChIKeyCANSBURCNZVPMJ-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.03
LogP ≤ 52.59
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 2-iodo-3-methylbut-1-ene?
The IUPAC name of 2-iodo-3-methylbut-1-ene (CID 89010345) is 2-iodo-3-methylbut-1-ene.
What is the SMILES notation for 2-iodo-3-methylbut-1-ene?
The canonical SMILES for 2-iodo-3-methylbut-1-ene is C=C(I)C(C)C.
What is the InChIKey of 2-iodo-3-methylbut-1-ene?
The InChIKey is CANSBURCNZVPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9I/c1-4(2)5(3)6/h4H,3H2,1-2H3.
What are the key properties of 2-iodo-3-methylbut-1-ene?
2-iodo-3-methylbut-1-ene has a molecular weight of 196.03 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-methylbut-1-ene is sourced from PubChem (CID 89010345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).