2-hydroperoxy-2-methylpropane;2-methylpropan-2-ol

C8H20O3 — CID 88830033

IUPAC2-hydroperoxy-2-methylpropane;2-methylpropan-2-ol
SMILESCC(C)(C)O.CC(C)(C)OO
InChIInChI=1S/C4H10O2.C4H10O/c1-4(2,3)6-5;1-4(2,3)5/h5H,1-3H3;5H,1-3H3
InChIKeyHDLXDUCZNJISPA-UHFFFAOYSA-N
MW164.24 g/mol
LogP2.05
Rot. Bonds

About 2-hydroperoxy-2-methylpropane;2-methylpropan-2-ol

2-hydroperoxy-2-methylpropane;2-methylpropan-2-ol (PubChem CID 88830033) has the molecular formula C8H20O3 and a molecular weight of 164.24 g/mol. Its IUPAC name is 2-hydroperoxy-2-methylpropane;2-methylpropan-2-ol.

Molecular Properties

Compound Name2-hydroperoxy-2-methylpropane;2-methylpropan-2-ol
PubChem CID88830033
Molecular FormulaC8H20O3
Molecular Weight164.24 g/mol
Exact Mass164.14
IUPAC Name2-hydroperoxy-2-methylpropane;2-methylpropan-2-ol
SMILESCC(C)(C)O.CC(C)(C)OO
InChIInChI=1S/C4H10O2.C4H10O/c1-4(2,3)6-5;1-4(2,3)5/h5H,1-3H3;5H,1-3H3
InChIKeyHDLXDUCZNJISPA-UHFFFAOYSA-N
XLogP2.05
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methylpropane
CID 19861551
potassium;2-hydroperoxy-2-methylpropane;hypobromite
CID 157454596
ethane;2-hydroperoxy-2-methylpropane;2-methylpropan-2-amine
CID 176988687
tetrakis(2-methylpropan-2-ol);titanium
CID 174053389
2-methylpropan-2-ol;molybdenum
CID 174435313
2-methylpropan-2-ol;titanium(4+)
CID 159912750
2-methylpropan-2-ol;neodymium
CID 154348927
methane;2-methylpropan-2-ol
CID 157161859
gallane;tris(2-methylpropan-2-ol)
CID 175569744
lithium 2-methylpropan-2-ol
CID 21120036
2-hydroperoxy-2-methylpropane;nonane
CID 19855271
sodium;hydride;2-hydroperoxy-2-methylpropane;sulfuric acid
CID 173224228

Frequently Asked Questions

What is the IUPAC name of 2-hydroperoxy-2-methylpropane;2-methylpropan-2-ol?
The IUPAC name of 2-hydroperoxy-2-methylpropane;2-methylpropan-2-ol (CID 88830033) is 2-hydroperoxy-2-methylpropane;2-methylpropan-2-ol.
What is the SMILES notation for 2-hydroperoxy-2-methylpropane;2-methylpropan-2-ol?
The canonical SMILES for 2-hydroperoxy-2-methylpropane;2-methylpropan-2-ol is CC(C)(C)O.CC(C)(C)OO.
What is the InChIKey of 2-hydroperoxy-2-methylpropane;2-methylpropan-2-ol?
The InChIKey is HDLXDUCZNJISPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.C4H10O/c1-4(2,3)6-5;1-4(2,3)5/h5H,1-3H3;5H,1-3H3.
What are the key properties of 2-hydroperoxy-2-methylpropane;2-methylpropan-2-ol?
2-hydroperoxy-2-methylpropane;2-methylpropan-2-ol has a molecular weight of 164.24 g/mol, XLogP of 2.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxy-2-methylpropane;2-methylpropan-2-ol is sourced from PubChem (CID 88830033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).