dipotassium;2-tert-butylbenzene-1,4-diolate

C10H12K2O2 — CID 139035525

IUPACdipotassium;2-tert-butylbenzene-1,4-diolate
SMILESCC(C)(C)c1cc([O-])ccc1[O-].[K+].[K+]
InChIInChI=1S/C10H14O2.2K/c1-10(2,3)8-6-7(11)4-5-9(8)12;;/h4-6,11-12H,1-3H3;;/q;2*+1/p-2
InChIKeySKJDFBPMLZPEGR-UHFFFAOYSA-L
MW242.40 g/mol
LogP-4.86
Rot. Bonds

About dipotassium;2-tert-butylbenzene-1,4-diolate

dipotassium;2-tert-butylbenzene-1,4-diolate (PubChem CID 139035525) has the molecular formula C10H12K2O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is dipotassium;2-tert-butylbenzene-1,4-diolate.

Molecular Properties

Compound Namedipotassium;2-tert-butylbenzene-1,4-diolate
PubChem CID139035525
Molecular FormulaC10H12K2O2
Molecular Weight242.40 g/mol
Exact Mass242.01
IUPAC Namedipotassium;2-tert-butylbenzene-1,4-diolate
SMILESCC(C)(C)c1cc([O-])ccc1[O-].[K+].[K+]
InChIInChI=1S/C10H14O2.2K/c1-10(2,3)8-6-7(11)4-5-9(8)12;;/h4-6,11-12H,1-3H3;;/q;2*+1/p-2
InChIKeySKJDFBPMLZPEGR-UHFFFAOYSA-L
XLogP-4.86
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 5-4.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dipotassium;2-tert-butylbenzene-1,4-diolate?
The IUPAC name of dipotassium;2-tert-butylbenzene-1,4-diolate (CID 139035525) is dipotassium;2-tert-butylbenzene-1,4-diolate.
What is the SMILES notation for dipotassium;2-tert-butylbenzene-1,4-diolate?
The canonical SMILES for dipotassium;2-tert-butylbenzene-1,4-diolate is CC(C)(C)c1cc([O-])ccc1[O-].[K+].[K+].
What is the InChIKey of dipotassium;2-tert-butylbenzene-1,4-diolate?
The InChIKey is SKJDFBPMLZPEGR-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H14O2.2K/c1-10(2,3)8-6-7(11)4-5-9(8)12;;/h4-6,11-12H,1-3H3;;/q;2*+1/p-2.
What are the key properties of dipotassium;2-tert-butylbenzene-1,4-diolate?
dipotassium;2-tert-butylbenzene-1,4-diolate has a molecular weight of 242.40 g/mol, XLogP of -4.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-tert-butylbenzene-1,4-diolate is sourced from PubChem (CID 139035525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).