2-(iodomethyl)-3,3-dimethylbut-1-ene

C7H13I — CID 71659148

IUPAC2-(iodomethyl)-3,3-dimethylbut-1-ene
SMILESC=C(CI)C(C)(C)C
InChIInChI=1S/C7H13I/c1-6(5-8)7(2,3)4/h1,5H2,2-4H3
InChIKeyYIENPEFXUWZSPK-UHFFFAOYSA-N
MW224.08 g/mol
LogP3.02
Rot. Bonds1

About 2-(iodomethyl)-3,3-dimethylbut-1-ene

2-(iodomethyl)-3,3-dimethylbut-1-ene (PubChem CID 71659148) has the molecular formula C7H13I and a molecular weight of 224.08 g/mol. Its IUPAC name is 2-(iodomethyl)-3,3-dimethylbut-1-ene.

Molecular Properties

Compound Name2-(iodomethyl)-3,3-dimethylbut-1-ene
PubChem CID71659148
Molecular FormulaC7H13I
Molecular Weight224.08 g/mol
Exact Mass224.01
IUPAC Name2-(iodomethyl)-3,3-dimethylbut-1-ene
SMILESC=C(CI)C(C)(C)C
InChIInChI=1S/C7H13I/c1-6(5-8)7(2,3)4/h1,5H2,2-4H3
InChIKeyYIENPEFXUWZSPK-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.08
LogP ≤ 53.02
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-3,3-dimethylbut-1-ene?
The IUPAC name of 2-(iodomethyl)-3,3-dimethylbut-1-ene (CID 71659148) is 2-(iodomethyl)-3,3-dimethylbut-1-ene.
What is the SMILES notation for 2-(iodomethyl)-3,3-dimethylbut-1-ene?
The canonical SMILES for 2-(iodomethyl)-3,3-dimethylbut-1-ene is C=C(CI)C(C)(C)C.
What is the InChIKey of 2-(iodomethyl)-3,3-dimethylbut-1-ene?
The InChIKey is YIENPEFXUWZSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13I/c1-6(5-8)7(2,3)4/h1,5H2,2-4H3.
What are the key properties of 2-(iodomethyl)-3,3-dimethylbut-1-ene?
2-(iodomethyl)-3,3-dimethylbut-1-ene has a molecular weight of 224.08 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-3,3-dimethylbut-1-ene is sourced from PubChem (CID 71659148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).