2-iodo-3-methylbutane

C5H11I — CID 519544

IUPAC2-iodo-3-methylbutane
SMILESCC(C)C(C)I
InChIInChI=1S/C5H11I/c1-4(2)5(3)6/h4-5H,1-3H3
InChIKeyPYXUFKGRYMMOIK-UHFFFAOYSA-N
MW198.05 g/mol
LogP2.47
Rot. Bonds1

About 2-iodo-3-methylbutane

2-iodo-3-methylbutane (PubChem CID 519544) has the molecular formula C5H11I and a molecular weight of 198.05 g/mol. Its IUPAC name is 2-iodo-3-methylbutane.

Molecular Properties

Compound Name2-iodo-3-methylbutane
PubChem CID519544
Molecular FormulaC5H11I
Molecular Weight198.05 g/mol
Exact Mass197.99
IUPAC Name2-iodo-3-methylbutane
SMILESCC(C)C(C)I
InChIInChI=1S/C5H11I/c1-4(2)5(3)6/h4-5H,1-3H3
InChIKeyPYXUFKGRYMMOIK-UHFFFAOYSA-N
XLogP2.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.05
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-methylbutane?
The IUPAC name of 2-iodo-3-methylbutane (CID 519544) is 2-iodo-3-methylbutane.
What is the SMILES notation for 2-iodo-3-methylbutane?
The canonical SMILES for 2-iodo-3-methylbutane is CC(C)C(C)I.
What is the InChIKey of 2-iodo-3-methylbutane?
The InChIKey is PYXUFKGRYMMOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11I/c1-4(2)5(3)6/h4-5H,1-3H3.
What are the key properties of 2-iodo-3-methylbutane?
2-iodo-3-methylbutane has a molecular weight of 198.05 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-methylbutane is sourced from PubChem (CID 519544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).