2-hydroperoxy-2-methylpropane;terephthalic acid

C12H16O6 — CID 160701504

IUPAC2-hydroperoxy-2-methylpropane;terephthalic acid
SMILESCC(C)(C)OO.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H6O4.C4H10O2/c9-7(10)5-1-2-6(4-3-5)8(11)12;1-4(2,3)6-5/h1-4H,(H,9,10)(H,11,12);5H,1-3H3
InChIKeyRQRFKHRTDNSXGO-UHFFFAOYSA-N
MW256.25 g/mol
LogP2.36
Rot. Bonds2

About 2-hydroperoxy-2-methylpropane;terephthalic acid

2-hydroperoxy-2-methylpropane;terephthalic acid (PubChem CID 160701504) has the molecular formula C12H16O6 and a molecular weight of 256.25 g/mol. Its IUPAC name is 2-hydroperoxy-2-methylpropane;terephthalic acid.

Molecular Properties

Compound Name2-hydroperoxy-2-methylpropane;terephthalic acid
PubChem CID160701504
Molecular FormulaC12H16O6
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Name2-hydroperoxy-2-methylpropane;terephthalic acid
SMILESCC(C)(C)OO.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H6O4.C4H10O2/c9-7(10)5-1-2-6(4-3-5)8(11)12;1-4(2,3)6-5/h1-4H,(H,9,10)(H,11,12);5H,1-3H3
InChIKeyRQRFKHRTDNSXGO-UHFFFAOYSA-N
XLogP2.36
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-hydroperoxy-2-methylpropane;terephthalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene-1,3-dicarboxylic acid;2-hydroperoxy-2-methylpropane
CID 158865175
terephthalic acid
CID 160582437
acetic acid;terephthalic acid
CID 158530154
chromium;terephthalic acid
CID 87187082
bismuthane;terephthalic acid
CID 173299583
terephthalic acid;dihydrofluoride
CID 70485309
4-tert-butylbenzoic acid;copper
CID 67780260
CID 67550053
CID 67550053
copper 4-tert-butylbenzoic acid
CID 54604773
zinc;oxygen(2-);terephthalic acid
CID 68542267
silver;terephthalic acid;zinc
CID 88512761
potassium;terephthalic acid;hydroxide
CID 157415014

Frequently Asked Questions

What is the IUPAC name of 2-hydroperoxy-2-methylpropane;terephthalic acid?
The IUPAC name of 2-hydroperoxy-2-methylpropane;terephthalic acid (CID 160701504) is 2-hydroperoxy-2-methylpropane;terephthalic acid.
What is the SMILES notation for 2-hydroperoxy-2-methylpropane;terephthalic acid?
The canonical SMILES for 2-hydroperoxy-2-methylpropane;terephthalic acid is CC(C)(C)OO.O=C(O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 2-hydroperoxy-2-methylpropane;terephthalic acid?
The InChIKey is RQRFKHRTDNSXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C4H10O2/c9-7(10)5-1-2-6(4-3-5)8(11)12;1-4(2,3)6-5/h1-4H,(H,9,10)(H,11,12);5H,1-3H3.
What are the key properties of 2-hydroperoxy-2-methylpropane;terephthalic acid?
2-hydroperoxy-2-methylpropane;terephthalic acid has a molecular weight of 256.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxy-2-methylpropane;terephthalic acid is sourced from PubChem (CID 160701504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).