2-hydroperoxy-3,3-dimethylpentane;methane

C9H24O2 — CID 158916446

IUPAC2-hydroperoxy-3,3-dimethylpentane;methane
SMILESC.C.CCC(C)(C)C(C)OO
InChIInChI=1S/C7H16O2.2CH4/c1-5-7(3,4)6(2)9-8;;/h6,8H,5H2,1-4H3;2*1H4
InChIKeyJHHCOCCDJBOACO-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.57
Rot. Bonds3

About 2-hydroperoxy-3,3-dimethylpentane;methane

2-hydroperoxy-3,3-dimethylpentane;methane (PubChem CID 158916446) has the molecular formula C9H24O2 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2-hydroperoxy-3,3-dimethylpentane;methane.

Molecular Properties

Compound Name2-hydroperoxy-3,3-dimethylpentane;methane
PubChem CID158916446
Molecular FormulaC9H24O2
Molecular Weight164.29 g/mol
Exact Mass164.18
IUPAC Name2-hydroperoxy-3,3-dimethylpentane;methane
SMILESC.C.CCC(C)(C)C(C)OO
InChIInChI=1S/C7H16O2.2CH4/c1-5-7(3,4)6(2)9-8;;/h6,8H,5H2,1-4H3;2*1H4
InChIKeyJHHCOCCDJBOACO-UHFFFAOYSA-N
XLogP3.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.57
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 2-hydroperoxy-3,3-dimethylpentane;methane?
The IUPAC name of 2-hydroperoxy-3,3-dimethylpentane;methane (CID 158916446) is 2-hydroperoxy-3,3-dimethylpentane;methane.
What is the SMILES notation for 2-hydroperoxy-3,3-dimethylpentane;methane?
The canonical SMILES for 2-hydroperoxy-3,3-dimethylpentane;methane is C.C.CCC(C)(C)C(C)OO.
What is the InChIKey of 2-hydroperoxy-3,3-dimethylpentane;methane?
The InChIKey is JHHCOCCDJBOACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2.2CH4/c1-5-7(3,4)6(2)9-8;;/h6,8H,5H2,1-4H3;2*1H4.
What are the key properties of 2-hydroperoxy-3,3-dimethylpentane;methane?
2-hydroperoxy-3,3-dimethylpentane;methane has a molecular weight of 164.29 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxy-3,3-dimethylpentane;methane is sourced from PubChem (CID 158916446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).