6-iodo-2-methylhex-2-ene

C7H13I — CID 549566

IUPAC6-iodo-2-methylhex-2-ene
SMILESCC(C)=CCCCI
InChIInChI=1S/C7H13I/c1-7(2)5-3-4-6-8/h5H,3-4,6H2,1-2H3
InChIKeySUMOPHHECWPZCN-UHFFFAOYSA-N
MW224.08 g/mol
LogP3.17
Rot. Bonds3

About 6-iodo-2-methylhex-2-ene

6-iodo-2-methylhex-2-ene (PubChem CID 549566) has the molecular formula C7H13I and a molecular weight of 224.08 g/mol. Its IUPAC name is 6-iodo-2-methylhex-2-ene.

Molecular Properties

Compound Name6-iodo-2-methylhex-2-ene
PubChem CID549566
Molecular FormulaC7H13I
Molecular Weight224.08 g/mol
Exact Mass224.01
IUPAC Name6-iodo-2-methylhex-2-ene
SMILESCC(C)=CCCCI
InChIInChI=1S/C7H13I/c1-7(2)5-3-4-6-8/h5H,3-4,6H2,1-2H3
InChIKeySUMOPHHECWPZCN-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 6-iodo-2-methylhex-2-ene?
The IUPAC name of 6-iodo-2-methylhex-2-ene (CID 549566) is 6-iodo-2-methylhex-2-ene.
What is the SMILES notation for 6-iodo-2-methylhex-2-ene?
The canonical SMILES for 6-iodo-2-methylhex-2-ene is CC(C)=CCCCI.
What is the InChIKey of 6-iodo-2-methylhex-2-ene?
The InChIKey is SUMOPHHECWPZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13I/c1-7(2)5-3-4-6-8/h5H,3-4,6H2,1-2H3.
What are the key properties of 6-iodo-2-methylhex-2-ene?
6-iodo-2-methylhex-2-ene has a molecular weight of 224.08 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2-methylhex-2-ene is sourced from PubChem (CID 549566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).