2-tert-butyl-5-iodo-5-methylcyclopenta-1,3-diene

C10H15I — CID 134354765

IUPAC2-tert-butyl-5-iodo-5-methylcyclopenta-1,3-diene
SMILESCC1(I)C=CC(C(C)(C)C)=C1
InChIInChI=1S/C10H15I/c1-9(2,3)8-5-6-10(4,11)7-8/h5-7H,1-4H3
InChIKeyDRNOEYVTBGICIP-UHFFFAOYSA-N
MW262.13 g/mol
LogP3.72
Rot. Bonds

About 2-tert-butyl-5-iodo-5-methylcyclopenta-1,3-diene

2-tert-butyl-5-iodo-5-methylcyclopenta-1,3-diene (PubChem CID 134354765) has the molecular formula C10H15I and a molecular weight of 262.13 g/mol. Its IUPAC name is 2-tert-butyl-5-iodo-5-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Name2-tert-butyl-5-iodo-5-methylcyclopenta-1,3-diene
PubChem CID134354765
Molecular FormulaC10H15I
Molecular Weight262.13 g/mol
Exact Mass262.02
IUPAC Name2-tert-butyl-5-iodo-5-methylcyclopenta-1,3-diene
SMILESCC1(I)C=CC(C(C)(C)C)=C1
InChIInChI=1S/C10H15I/c1-9(2,3)8-5-6-10(4,11)7-8/h5-7H,1-4H3
InChIKeyDRNOEYVTBGICIP-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.13
LogP ≤ 53.72
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-iodo-5-methylcyclopenta-1,3-diene?
The IUPAC name of 2-tert-butyl-5-iodo-5-methylcyclopenta-1,3-diene (CID 134354765) is 2-tert-butyl-5-iodo-5-methylcyclopenta-1,3-diene.
What is the SMILES notation for 2-tert-butyl-5-iodo-5-methylcyclopenta-1,3-diene?
The canonical SMILES for 2-tert-butyl-5-iodo-5-methylcyclopenta-1,3-diene is CC1(I)C=CC(C(C)(C)C)=C1.
What is the InChIKey of 2-tert-butyl-5-iodo-5-methylcyclopenta-1,3-diene?
The InChIKey is DRNOEYVTBGICIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15I/c1-9(2,3)8-5-6-10(4,11)7-8/h5-7H,1-4H3.
What are the key properties of 2-tert-butyl-5-iodo-5-methylcyclopenta-1,3-diene?
2-tert-butyl-5-iodo-5-methylcyclopenta-1,3-diene has a molecular weight of 262.13 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-iodo-5-methylcyclopenta-1,3-diene is sourced from PubChem (CID 134354765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).