5-iodo-2,3-dimethylpent-2-ene

C7H13I — CID 10537081

IUPAC5-iodo-2,3-dimethylpent-2-ene
SMILESCC(C)=C(C)CCI
InChIInChI=1S/C7H13I/c1-6(2)7(3)4-5-8/h4-5H2,1-3H3
InChIKeyWHEIXBCUTMNIFR-UHFFFAOYSA-N
MW224.08 g/mol
LogP3.17
Rot. Bonds2

About 5-iodo-2,3-dimethylpent-2-ene

5-iodo-2,3-dimethylpent-2-ene (PubChem CID 10537081) has the molecular formula C7H13I and a molecular weight of 224.08 g/mol. Its IUPAC name is 5-iodo-2,3-dimethylpent-2-ene.

Molecular Properties

Compound Name5-iodo-2,3-dimethylpent-2-ene
PubChem CID10537081
Molecular FormulaC7H13I
Molecular Weight224.08 g/mol
Exact Mass224.01
IUPAC Name5-iodo-2,3-dimethylpent-2-ene
SMILESCC(C)=C(C)CCI
InChIInChI=1S/C7H13I/c1-6(2)7(3)4-5-8/h4-5H2,1-3H3
InChIKeyWHEIXBCUTMNIFR-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
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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Related Compounds

2,3-Dimethyl-2-pentene
CID 25403
5-Iodo-2-methyl-2-pentene
CID 11063690
Cyclobutene, 1-iodo-2-methyl-
CID 10888804
3-Ethyl-4-iodohex-3-ene
CID 86173719
1-Cyclopropylideneethyl-fluoro-methyl-lambda3-iodane
CID 163539584
3-Iodo-2,4-dimethylpent-2-ene
CID 12704924
(E)-3,4-diiodohex-3-ene
CID 12616830
(E)-2,3-diiodopent-2-ene
CID 23650030
4-Trideuteromethyl-3-pentenyliodide
CID 129851098
(E)-1-iodo-3-methylhex-3-ene
CID 135030072
CID 162402978
CID 162402978
(E)-1-iodo-4-methylhex-3-ene
CID 11287521

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2,3-dimethylpent-2-ene?
The IUPAC name of 5-iodo-2,3-dimethylpent-2-ene (CID 10537081) is 5-iodo-2,3-dimethylpent-2-ene.
What is the SMILES notation for 5-iodo-2,3-dimethylpent-2-ene?
The canonical SMILES for 5-iodo-2,3-dimethylpent-2-ene is CC(C)=C(C)CCI.
What is the InChIKey of 5-iodo-2,3-dimethylpent-2-ene?
The InChIKey is WHEIXBCUTMNIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13I/c1-6(2)7(3)4-5-8/h4-5H2,1-3H3.
What are the key properties of 5-iodo-2,3-dimethylpent-2-ene?
5-iodo-2,3-dimethylpent-2-ene has a molecular weight of 224.08 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2,3-dimethylpent-2-ene is sourced from PubChem (CID 10537081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).