4-tert-butylperoxy-4-methylpentan-2-ol

C10H22O3 — CID 22065463

IUPAC4-tert-butylperoxy-4-methylpentan-2-ol
SMILESCC(O)CC(C)(C)OOC(C)(C)C
InChIInChI=1S/C10H22O3/c1-8(11)7-10(5,6)13-12-9(2,3)4/h8,11H,7H2,1-6H3
InChIKeyJNSWFNBIZLIBPH-UHFFFAOYSA-N
MW190.28 g/mol
LogP2.28
Rot. Bonds4

About 4-tert-butylperoxy-4-methylpentan-2-ol

4-tert-butylperoxy-4-methylpentan-2-ol (PubChem CID 22065463) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is 4-tert-butylperoxy-4-methylpentan-2-ol.

Molecular Properties

Compound Name4-tert-butylperoxy-4-methylpentan-2-ol
PubChem CID22065463
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name4-tert-butylperoxy-4-methylpentan-2-ol
SMILESCC(O)CC(C)(C)OOC(C)(C)C
InChIInChI=1S/C10H22O3/c1-8(11)7-10(5,6)13-12-9(2,3)4/h8,11H,7H2,1-6H3
InChIKeyJNSWFNBIZLIBPH-UHFFFAOYSA-N
XLogP2.28
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylperoxy-4-methylpentan-2-ol?
The IUPAC name of 4-tert-butylperoxy-4-methylpentan-2-ol (CID 22065463) is 4-tert-butylperoxy-4-methylpentan-2-ol.
What is the SMILES notation for 4-tert-butylperoxy-4-methylpentan-2-ol?
The canonical SMILES for 4-tert-butylperoxy-4-methylpentan-2-ol is CC(O)CC(C)(C)OOC(C)(C)C.
What is the InChIKey of 4-tert-butylperoxy-4-methylpentan-2-ol?
The InChIKey is JNSWFNBIZLIBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-8(11)7-10(5,6)13-12-9(2,3)4/h8,11H,7H2,1-6H3.
What are the key properties of 4-tert-butylperoxy-4-methylpentan-2-ol?
4-tert-butylperoxy-4-methylpentan-2-ol has a molecular weight of 190.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylperoxy-4-methylpentan-2-ol is sourced from PubChem (CID 22065463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).