3-ethyl-2-hydroperoxy-3-methylpentane

C8H18O2 — CID 90139339

IUPAC3-ethyl-2-hydroperoxy-3-methylpentane
SMILESCCC(C)(CC)C(C)OO
InChIInChI=1S/C8H18O2/c1-5-8(4,6-2)7(3)10-9/h7,9H,5-6H2,1-4H3
InChIKeyKGYWWMSFRPOWMK-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.69
Rot. Bonds4

About 3-ethyl-2-hydroperoxy-3-methylpentane

3-ethyl-2-hydroperoxy-3-methylpentane (PubChem CID 90139339) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 3-ethyl-2-hydroperoxy-3-methylpentane.

Molecular Properties

Compound Name3-ethyl-2-hydroperoxy-3-methylpentane
PubChem CID90139339
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name3-ethyl-2-hydroperoxy-3-methylpentane
SMILESCCC(C)(CC)C(C)OO
InChIInChI=1S/C8H18O2/c1-5-8(4,6-2)7(3)10-9/h7,9H,5-6H2,1-4H3
InChIKeyKGYWWMSFRPOWMK-UHFFFAOYSA-N
XLogP2.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethyl-2-hydroperoxy-3-methylpentane 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 3-ethyl-2-hydroperoxy-3-methylpentane?
The IUPAC name of 3-ethyl-2-hydroperoxy-3-methylpentane (CID 90139339) is 3-ethyl-2-hydroperoxy-3-methylpentane.
What is the SMILES notation for 3-ethyl-2-hydroperoxy-3-methylpentane?
The canonical SMILES for 3-ethyl-2-hydroperoxy-3-methylpentane is CCC(C)(CC)C(C)OO.
What is the InChIKey of 3-ethyl-2-hydroperoxy-3-methylpentane?
The InChIKey is KGYWWMSFRPOWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-5-8(4,6-2)7(3)10-9/h7,9H,5-6H2,1-4H3.
What are the key properties of 3-ethyl-2-hydroperoxy-3-methylpentane?
3-ethyl-2-hydroperoxy-3-methylpentane has a molecular weight of 146.23 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-hydroperoxy-3-methylpentane is sourced from PubChem (CID 90139339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).