2-hydroperoxy-2-methylpropane;2-methylpropane

C8H20O2 — CID 19861551

IUPAC2-hydroperoxy-2-methylpropane;2-methylpropane
SMILESCC(C)(C)OO.CC(C)C
InChIInChI=1S/C4H10O2.C4H10/c1-4(2,3)6-5;1-4(2)3/h5H,1-3H3;4H,1-3H3
InChIKeyDAPAKHQRQOLUFB-UHFFFAOYSA-N
MW148.25 g/mol
LogP2.94
Rot. Bonds

About 2-hydroperoxy-2-methylpropane;2-methylpropane

2-hydroperoxy-2-methylpropane;2-methylpropane (PubChem CID 19861551) has the molecular formula C8H20O2 and a molecular weight of 148.25 g/mol. Its IUPAC name is 2-hydroperoxy-2-methylpropane;2-methylpropane.

Molecular Properties

Compound Name2-hydroperoxy-2-methylpropane;2-methylpropane
PubChem CID19861551
Molecular FormulaC8H20O2
Molecular Weight148.25 g/mol
Exact Mass148.15
IUPAC Name2-hydroperoxy-2-methylpropane;2-methylpropane
SMILESCC(C)(C)OO.CC(C)C
InChIInChI=1S/C4H10O2.C4H10/c1-4(2,3)6-5;1-4(2)3/h5H,1-3H3;4H,1-3H3
InChIKeyDAPAKHQRQOLUFB-UHFFFAOYSA-N
XLogP2.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 52.94
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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Related Compounds

2-hydroperoxy-2-methylpropane;2-methylpropan-2-ol
CID 88830033
ethane;2-hydroperoxy-2-methylpropane;2-methylpropan-2-amine
CID 176988687
potassium;2-hydroperoxy-2-methylpropane;hypobromite
CID 157454596
2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylpropane
CID 87070138
sodium;hydride;2-hydroperoxy-2-methylpropane;sulfuric acid
CID 173224228
2-hydroperoxy-2-methylpropane;nonane
CID 19855271
hydrogen peroxide;2-hydroperoxy-2-methylbutane;2-hydroperoxy-2-methylpropane
CID 172755800
(Z)-but-2-enedioic acid;2-hydroperoxy-2-methylpropane
CID 162307611
2-hydroperoxy-2-methylpropane;2-methyloxirane
CID 158620192
2-hydroperoxy-4-methylpentan-2-ol
CID 71403979
2-hydroperoxy-2-methylpropane;prop-2-enoic acid
CID 158563698
2-hydroperoxy-2,4-dimethylpentan-3-one
CID 12587193

Frequently Asked Questions

What is the IUPAC name of 2-hydroperoxy-2-methylpropane;2-methylpropane?
The IUPAC name of 2-hydroperoxy-2-methylpropane;2-methylpropane (CID 19861551) is 2-hydroperoxy-2-methylpropane;2-methylpropane.
What is the SMILES notation for 2-hydroperoxy-2-methylpropane;2-methylpropane?
The canonical SMILES for 2-hydroperoxy-2-methylpropane;2-methylpropane is CC(C)(C)OO.CC(C)C.
What is the InChIKey of 2-hydroperoxy-2-methylpropane;2-methylpropane?
The InChIKey is DAPAKHQRQOLUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.C4H10/c1-4(2,3)6-5;1-4(2)3/h5H,1-3H3;4H,1-3H3.
What are the key properties of 2-hydroperoxy-2-methylpropane;2-methylpropane?
2-hydroperoxy-2-methylpropane;2-methylpropane has a molecular weight of 148.25 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxy-2-methylpropane;2-methylpropane is sourced from PubChem (CID 19861551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).