1-hydroperoxy-2-(hydroperoxymethyl)-2-methylpentane

C7H16O4 — CID 87349470

IUPAC1-hydroperoxy-2-(hydroperoxymethyl)-2-methylpentane
SMILESCCCC(C)(COO)COO
InChIInChI=1S/C7H16O4/c1-3-4-7(2,5-10-8)6-11-9/h8-9H,3-6H2,1-2H3
InChIKeyHGCQVAFIOGWPQN-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.77
Rot. Bonds6

About 1-hydroperoxy-2-(hydroperoxymethyl)-2-methylpentane

1-hydroperoxy-2-(hydroperoxymethyl)-2-methylpentane (PubChem CID 87349470) has the molecular formula C7H16O4 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1-hydroperoxy-2-(hydroperoxymethyl)-2-methylpentane.

Molecular Properties

Compound Name1-hydroperoxy-2-(hydroperoxymethyl)-2-methylpentane
PubChem CID87349470
Molecular FormulaC7H16O4
Molecular Weight164.20 g/mol
Exact Mass164.10
IUPAC Name1-hydroperoxy-2-(hydroperoxymethyl)-2-methylpentane
SMILESCCCC(C)(COO)COO
InChIInChI=1S/C7H16O4/c1-3-4-7(2,5-10-8)6-11-9/h8-9H,3-6H2,1-2H3
InChIKeyHGCQVAFIOGWPQN-UHFFFAOYSA-N
XLogP1.77
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
CID 4064
acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
CID 18352582
(2-methyl-2-propylpentoxy)silane
CID 123310198
(2-methyl-2-propylpentyl) acetate
CID 89417633
2-(hydroperoxymethyl)-2-propylpentanoic acid
CID 89126007
[2-methyl-2-(sulfamoyloxymethyl)pentyl] sulfamate
CID 12708925
2-(methoxymethyl)-2-methylpentan-1-amine
CID 103984443
2-[[4-[2-(hydroxymethyl)-2-methylpentoxy]cyclohexyl]oxymethyl]-2-methylpentan-1-ol
CID 130308391
bis(2,2-dimethylpentane);methane
CID 159859974
4-ethyl-4-methylheptane;2-methylprop-1-ene
CID 170590523
1-methoxy-3-(2-methoxyethyl)-3-methylhexane
CID 57212260
3-methyl-3-propylhexane-1,1-diol
CID 88855080

Frequently Asked Questions

What is the IUPAC name of 1-hydroperoxy-2-(hydroperoxymethyl)-2-methylpentane?
The IUPAC name of 1-hydroperoxy-2-(hydroperoxymethyl)-2-methylpentane (CID 87349470) is 1-hydroperoxy-2-(hydroperoxymethyl)-2-methylpentane.
What is the SMILES notation for 1-hydroperoxy-2-(hydroperoxymethyl)-2-methylpentane?
The canonical SMILES for 1-hydroperoxy-2-(hydroperoxymethyl)-2-methylpentane is CCCC(C)(COO)COO.
What is the InChIKey of 1-hydroperoxy-2-(hydroperoxymethyl)-2-methylpentane?
The InChIKey is HGCQVAFIOGWPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4/c1-3-4-7(2,5-10-8)6-11-9/h8-9H,3-6H2,1-2H3.
What are the key properties of 1-hydroperoxy-2-(hydroperoxymethyl)-2-methylpentane?
1-hydroperoxy-2-(hydroperoxymethyl)-2-methylpentane has a molecular weight of 164.20 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroperoxy-2-(hydroperoxymethyl)-2-methylpentane is sourced from PubChem (CID 87349470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).