3-hydroperoxy-2,2,4,4-tetramethylhexane

C10H22O2 — CID 20580316

IUPAC3-hydroperoxy-2,2,4,4-tetramethylhexane
SMILESCCC(C)(C)C(OO)C(C)(C)C
InChIInChI=1S/C10H22O2/c1-7-10(5,6)8(12-11)9(2,3)4/h8,11H,7H2,1-6H3
InChIKeyAABJRSUBJBKTCQ-UHFFFAOYSA-N
MW174.28 g/mol
LogP3.33
Rot. Bonds3

About 3-hydroperoxy-2,2,4,4-tetramethylhexane

3-hydroperoxy-2,2,4,4-tetramethylhexane (PubChem CID 20580316) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 3-hydroperoxy-2,2,4,4-tetramethylhexane.

Molecular Properties

Compound Name3-hydroperoxy-2,2,4,4-tetramethylhexane
PubChem CID20580316
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name3-hydroperoxy-2,2,4,4-tetramethylhexane
SMILESCCC(C)(C)C(OO)C(C)(C)C
InChIInChI=1S/C10H22O2/c1-7-10(5,6)8(12-11)9(2,3)4/h8,11H,7H2,1-6H3
InChIKeyAABJRSUBJBKTCQ-UHFFFAOYSA-N
XLogP3.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 53.33
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroperoxy-2,2,4,4-tetramethylhexane?
The IUPAC name of 3-hydroperoxy-2,2,4,4-tetramethylhexane (CID 20580316) is 3-hydroperoxy-2,2,4,4-tetramethylhexane.
What is the SMILES notation for 3-hydroperoxy-2,2,4,4-tetramethylhexane?
The canonical SMILES for 3-hydroperoxy-2,2,4,4-tetramethylhexane is CCC(C)(C)C(OO)C(C)(C)C.
What is the InChIKey of 3-hydroperoxy-2,2,4,4-tetramethylhexane?
The InChIKey is AABJRSUBJBKTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-7-10(5,6)8(12-11)9(2,3)4/h8,11H,7H2,1-6H3.
What are the key properties of 3-hydroperoxy-2,2,4,4-tetramethylhexane?
3-hydroperoxy-2,2,4,4-tetramethylhexane has a molecular weight of 174.28 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroperoxy-2,2,4,4-tetramethylhexane is sourced from PubChem (CID 20580316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).