5-iodo-4,4-dimethylpent-1-ene

C7H13I — CID 11064063

IUPAC5-iodo-4,4-dimethylpent-1-ene
SMILESC=CCC(C)(C)CI
InChIInChI=1S/C7H13I/c1-4-5-7(2,3)6-8/h4H,1,5-6H2,2-3H3
InChIKeyLBMIBAWEVPWLNY-UHFFFAOYSA-N
MW224.08 g/mol
LogP3.02
Rot. Bonds3

About 5-iodo-4,4-dimethylpent-1-ene

5-iodo-4,4-dimethylpent-1-ene (PubChem CID 11064063) has the molecular formula C7H13I and a molecular weight of 224.08 g/mol. Its IUPAC name is 5-iodo-4,4-dimethylpent-1-ene.

Molecular Properties

Compound Name5-iodo-4,4-dimethylpent-1-ene
PubChem CID11064063
Molecular FormulaC7H13I
Molecular Weight224.08 g/mol
Exact Mass224.01
IUPAC Name5-iodo-4,4-dimethylpent-1-ene
SMILESC=CCC(C)(C)CI
InChIInChI=1S/C7H13I/c1-4-5-7(2,3)6-8/h4H,1,5-6H2,2-3H3
InChIKeyLBMIBAWEVPWLNY-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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 5-iodo-4,4-dimethylpent-1-ene?
The IUPAC name of 5-iodo-4,4-dimethylpent-1-ene (CID 11064063) is 5-iodo-4,4-dimethylpent-1-ene.
What is the SMILES notation for 5-iodo-4,4-dimethylpent-1-ene?
The canonical SMILES for 5-iodo-4,4-dimethylpent-1-ene is C=CCC(C)(C)CI.
What is the InChIKey of 5-iodo-4,4-dimethylpent-1-ene?
The InChIKey is LBMIBAWEVPWLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13I/c1-4-5-7(2,3)6-8/h4H,1,5-6H2,2-3H3.
What are the key properties of 5-iodo-4,4-dimethylpent-1-ene?
5-iodo-4,4-dimethylpent-1-ene has a molecular weight of 224.08 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4,4-dimethylpent-1-ene is sourced from PubChem (CID 11064063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).