2-iodo-4-methylpenta-2,3-diene

C6H9I — CID 139264010

IUPAC2-iodo-4-methylpenta-2,3-diene
SMILESCC(C)=C=C(C)I
InChIInChI=1S/C6H9I/c1-5(2)4-6(3)7/h1-3H3
InChIKeyOWSNDLVVYHJKPF-UHFFFAOYSA-N
MW208.04 g/mol
LogP2.89
Rot. Bonds

About 2-iodo-4-methylpenta-2,3-diene

2-iodo-4-methylpenta-2,3-diene (PubChem CID 139264010) has the molecular formula C6H9I and a molecular weight of 208.04 g/mol. Its IUPAC name is 2-iodo-4-methylpenta-2,3-diene.

Molecular Properties

Compound Name2-iodo-4-methylpenta-2,3-diene
PubChem CID139264010
Molecular FormulaC6H9I
Molecular Weight208.04 g/mol
Exact Mass207.97
IUPAC Name2-iodo-4-methylpenta-2,3-diene
SMILESCC(C)=C=C(C)I
InChIInChI=1S/C6H9I/c1-5(2)4-6(3)7/h1-3H3
InChIKeyOWSNDLVVYHJKPF-UHFFFAOYSA-N
XLogP2.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.04
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-methylpenta-2,3-diene?
The IUPAC name of 2-iodo-4-methylpenta-2,3-diene (CID 139264010) is 2-iodo-4-methylpenta-2,3-diene.
What is the SMILES notation for 2-iodo-4-methylpenta-2,3-diene?
The canonical SMILES for 2-iodo-4-methylpenta-2,3-diene is CC(C)=C=C(C)I.
What is the InChIKey of 2-iodo-4-methylpenta-2,3-diene?
The InChIKey is OWSNDLVVYHJKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9I/c1-5(2)4-6(3)7/h1-3H3.
What are the key properties of 2-iodo-4-methylpenta-2,3-diene?
2-iodo-4-methylpenta-2,3-diene has a molecular weight of 208.04 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-methylpenta-2,3-diene is sourced from PubChem (CID 139264010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).