4-hydroperoxy-2,2,3-trimethylpentane

C8H18O2 — CID 19073977

IUPAC4-hydroperoxy-2,2,3-trimethylpentane
SMILESCC(OO)C(C)C(C)(C)C
InChIInChI=1S/C8H18O2/c1-6(7(2)10-9)8(3,4)5/h6-7,9H,1-5H3
InChIKeyQZYUYQMJDDXMMK-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.55
Rot. Bonds2

About 4-hydroperoxy-2,2,3-trimethylpentane

4-hydroperoxy-2,2,3-trimethylpentane (PubChem CID 19073977) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 4-hydroperoxy-2,2,3-trimethylpentane.

Molecular Properties

Compound Name4-hydroperoxy-2,2,3-trimethylpentane
PubChem CID19073977
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name4-hydroperoxy-2,2,3-trimethylpentane
SMILESCC(OO)C(C)C(C)(C)C
InChIInChI=1S/C8H18O2/c1-6(7(2)10-9)8(3,4)5/h6-7,9H,1-5H3
InChIKeyQZYUYQMJDDXMMK-UHFFFAOYSA-N
XLogP2.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.55
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-2,2,3-trimethylpentane?
The IUPAC name of 4-hydroperoxy-2,2,3-trimethylpentane (CID 19073977) is 4-hydroperoxy-2,2,3-trimethylpentane.
What is the SMILES notation for 4-hydroperoxy-2,2,3-trimethylpentane?
The canonical SMILES for 4-hydroperoxy-2,2,3-trimethylpentane is CC(OO)C(C)C(C)(C)C.
What is the InChIKey of 4-hydroperoxy-2,2,3-trimethylpentane?
The InChIKey is QZYUYQMJDDXMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-6(7(2)10-9)8(3,4)5/h6-7,9H,1-5H3.
What are the key properties of 4-hydroperoxy-2,2,3-trimethylpentane?
4-hydroperoxy-2,2,3-trimethylpentane has a molecular weight of 146.23 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroperoxy-2,2,3-trimethylpentane is sourced from PubChem (CID 19073977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).