1,2-diiodo-2-methylheptane

C8H16I2 — CID 54368086

IUPAC1,2-diiodo-2-methylheptane
SMILESCCCCCC(C)(I)CI
InChIInChI=1S/C8H16I2/c1-3-4-5-6-8(2,10)7-9/h3-7H2,1-2H3
InChIKeyGWOGWXVUDZTZOJ-UHFFFAOYSA-N
MW366.02 g/mol
LogP4.20
Rot. Bonds5

About 1,2-diiodo-2-methylheptane

1,2-diiodo-2-methylheptane (PubChem CID 54368086) has the molecular formula C8H16I2 and a molecular weight of 366.02 g/mol. Its IUPAC name is 1,2-diiodo-2-methylheptane.

Molecular Properties

Compound Name1,2-diiodo-2-methylheptane
PubChem CID54368086
Molecular FormulaC8H16I2
Molecular Weight366.02 g/mol
Exact Mass365.93
IUPAC Name1,2-diiodo-2-methylheptane
SMILESCCCCCC(C)(I)CI
InChIInChI=1S/C8H16I2/c1-3-4-5-6-8(2,10)7-9/h3-7H2,1-2H3
InChIKeyGWOGWXVUDZTZOJ-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.02
LogP ≤ 54.20
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-diiodo-2-methylheptane?
The IUPAC name of 1,2-diiodo-2-methylheptane (CID 54368086) is 1,2-diiodo-2-methylheptane.
What is the SMILES notation for 1,2-diiodo-2-methylheptane?
The canonical SMILES for 1,2-diiodo-2-methylheptane is CCCCCC(C)(I)CI.
What is the InChIKey of 1,2-diiodo-2-methylheptane?
The InChIKey is GWOGWXVUDZTZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16I2/c1-3-4-5-6-8(2,10)7-9/h3-7H2,1-2H3.
What are the key properties of 1,2-diiodo-2-methylheptane?
1,2-diiodo-2-methylheptane has a molecular weight of 366.02 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diiodo-2-methylheptane is sourced from PubChem (CID 54368086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).