7-iodo-3,7a-dimethyl-1,2,4,5-tetrahydroindene

C11H15I — CID 86029684

IUPAC7-iodo-3,7a-dimethyl-1,2,4,5-tetrahydroindene
SMILESCC1=C2CCC=C(I)C2(C)CC1
InChIInChI=1S/C11H15I/c1-8-6-7-11(2)9(8)4-3-5-10(11)12/h5H,3-4,6-7H2,1-2H3
InChIKeyTWOHOHVJSWATTE-UHFFFAOYSA-N
MW274.14 g/mol
LogP4.22
Rot. Bonds

About 7-iodo-3,7a-dimethyl-1,2,4,5-tetrahydroindene

7-iodo-3,7a-dimethyl-1,2,4,5-tetrahydroindene (PubChem CID 86029684) has the molecular formula C11H15I and a molecular weight of 274.14 g/mol. Its IUPAC name is 7-iodo-3,7a-dimethyl-1,2,4,5-tetrahydroindene.

Molecular Properties

Compound Name7-iodo-3,7a-dimethyl-1,2,4,5-tetrahydroindene
PubChem CID86029684
Molecular FormulaC11H15I
Molecular Weight274.14 g/mol
Exact Mass274.02
IUPAC Name7-iodo-3,7a-dimethyl-1,2,4,5-tetrahydroindene
SMILESCC1=C2CCC=C(I)C2(C)CC1
InChIInChI=1S/C11H15I/c1-8-6-7-11(2)9(8)4-3-5-10(11)12/h5H,3-4,6-7H2,1-2H3
InChIKeyTWOHOHVJSWATTE-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.14
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7-iodo-3,7a-dimethyl-1,2,4,5-tetrahydroindene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-iodo-3,7a-dimethyl-1,2,4,5-tetrahydroindene?
The IUPAC name of 7-iodo-3,7a-dimethyl-1,2,4,5-tetrahydroindene (CID 86029684) is 7-iodo-3,7a-dimethyl-1,2,4,5-tetrahydroindene.
What is the SMILES notation for 7-iodo-3,7a-dimethyl-1,2,4,5-tetrahydroindene?
The canonical SMILES for 7-iodo-3,7a-dimethyl-1,2,4,5-tetrahydroindene is CC1=C2CCC=C(I)C2(C)CC1.
What is the InChIKey of 7-iodo-3,7a-dimethyl-1,2,4,5-tetrahydroindene?
The InChIKey is TWOHOHVJSWATTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15I/c1-8-6-7-11(2)9(8)4-3-5-10(11)12/h5H,3-4,6-7H2,1-2H3.
What are the key properties of 7-iodo-3,7a-dimethyl-1,2,4,5-tetrahydroindene?
7-iodo-3,7a-dimethyl-1,2,4,5-tetrahydroindene has a molecular weight of 274.14 g/mol, XLogP of 4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-3,7a-dimethyl-1,2,4,5-tetrahydroindene is sourced from PubChem (CID 86029684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).