5-tert-butylperoxy-5-methylhex-1-ene

C11H22O2 — CID 14027482

IUPAC5-tert-butylperoxy-5-methylhex-1-ene
SMILESC=CCCC(C)(C)OOC(C)(C)C
InChIInChI=1S/C11H22O2/c1-7-8-9-11(5,6)13-12-10(2,3)4/h7H,1,8-9H2,2-6H3
InChIKeyVFCRISGCHRITRA-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.48
Rot. Bonds5

About 5-tert-butylperoxy-5-methylhex-1-ene

5-tert-butylperoxy-5-methylhex-1-ene (PubChem CID 14027482) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 5-tert-butylperoxy-5-methylhex-1-ene.

Molecular Properties

Compound Name5-tert-butylperoxy-5-methylhex-1-ene
PubChem CID14027482
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name5-tert-butylperoxy-5-methylhex-1-ene
SMILESC=CCCC(C)(C)OOC(C)(C)C
InChIInChI=1S/C11H22O2/c1-7-8-9-11(5,6)13-12-10(2,3)4/h7H,1,8-9H2,2-6H3
InChIKeyVFCRISGCHRITRA-UHFFFAOYSA-N
XLogP3.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 5-tert-butylperoxy-5-methylhex-1-ene 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 5-tert-butylperoxy-5-methylhex-1-ene?
The IUPAC name of 5-tert-butylperoxy-5-methylhex-1-ene (CID 14027482) is 5-tert-butylperoxy-5-methylhex-1-ene.
What is the SMILES notation for 5-tert-butylperoxy-5-methylhex-1-ene?
The canonical SMILES for 5-tert-butylperoxy-5-methylhex-1-ene is C=CCCC(C)(C)OOC(C)(C)C.
What is the InChIKey of 5-tert-butylperoxy-5-methylhex-1-ene?
The InChIKey is VFCRISGCHRITRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-7-8-9-11(5,6)13-12-10(2,3)4/h7H,1,8-9H2,2-6H3.
What are the key properties of 5-tert-butylperoxy-5-methylhex-1-ene?
5-tert-butylperoxy-5-methylhex-1-ene has a molecular weight of 186.29 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylperoxy-5-methylhex-1-ene is sourced from PubChem (CID 14027482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).