4-hydroperoxy-3,3,5,5-tetramethylheptane

C11H24O2 — CID 20580324

IUPAC4-hydroperoxy-3,3,5,5-tetramethylheptane
SMILESCCC(C)(C)C(OO)C(C)(C)CC
InChIInChI=1S/C11H24O2/c1-7-10(3,4)9(13-12)11(5,6)8-2/h9,12H,7-8H2,1-6H3
InChIKeyIQAVFHOCFMWTTI-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.72
Rot. Bonds5

About 4-hydroperoxy-3,3,5,5-tetramethylheptane

4-hydroperoxy-3,3,5,5-tetramethylheptane (PubChem CID 20580324) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 4-hydroperoxy-3,3,5,5-tetramethylheptane.

Molecular Properties

Compound Name4-hydroperoxy-3,3,5,5-tetramethylheptane
PubChem CID20580324
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name4-hydroperoxy-3,3,5,5-tetramethylheptane
SMILESCCC(C)(C)C(OO)C(C)(C)CC
InChIInChI=1S/C11H24O2/c1-7-10(3,4)9(13-12)11(5,6)8-2/h9,12H,7-8H2,1-6H3
InChIKeyIQAVFHOCFMWTTI-UHFFFAOYSA-N
XLogP3.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.72
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 4-hydroperoxy-3,3,5,5-tetramethylheptane?
The IUPAC name of 4-hydroperoxy-3,3,5,5-tetramethylheptane (CID 20580324) is 4-hydroperoxy-3,3,5,5-tetramethylheptane.
What is the SMILES notation for 4-hydroperoxy-3,3,5,5-tetramethylheptane?
The canonical SMILES for 4-hydroperoxy-3,3,5,5-tetramethylheptane is CCC(C)(C)C(OO)C(C)(C)CC.
What is the InChIKey of 4-hydroperoxy-3,3,5,5-tetramethylheptane?
The InChIKey is IQAVFHOCFMWTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-7-10(3,4)9(13-12)11(5,6)8-2/h9,12H,7-8H2,1-6H3.
What are the key properties of 4-hydroperoxy-3,3,5,5-tetramethylheptane?
4-hydroperoxy-3,3,5,5-tetramethylheptane has a molecular weight of 188.31 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroperoxy-3,3,5,5-tetramethylheptane is sourced from PubChem (CID 20580324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).