dicyclohexyl 2,5-dihydroxybenzene-1,4-dicarboxylate

C20H26O6 — CID 14121494

IUPACdicyclohexyl 2,5-dihydroxybenzene-1,4-dicarboxylate
SMILESO=C(OC1CCCCC1)c1cc(O)c(C(=O)OC2CCCCC2)cc1O
InChIInChI=1S/C20H26O6/c21-17-12-16(20(24)26-14-9-5-2-6-10-14)18(22)11-15(17)19(23)25-13-7-3-1-4-8-13/h11-14,21-22H,1-10H2
InChIKeyPZJLOQHQGPBJPY-UHFFFAOYSA-N
MW362.42 g/mol
LogP4.08
Rot. Bonds4

About dicyclohexyl 2,5-dihydroxybenzene-1,4-dicarboxylate

dicyclohexyl 2,5-dihydroxybenzene-1,4-dicarboxylate (PubChem CID 14121494) has the molecular formula C20H26O6 and a molecular weight of 362.42 g/mol. Its IUPAC name is dicyclohexyl 2,5-dihydroxybenzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedicyclohexyl 2,5-dihydroxybenzene-1,4-dicarboxylate
PubChem CID14121494
Molecular FormulaC20H26O6
Molecular Weight362.42 g/mol
Exact Mass362.17
IUPAC Namedicyclohexyl 2,5-dihydroxybenzene-1,4-dicarboxylate
SMILESO=C(OC1CCCCC1)c1cc(O)c(C(=O)OC2CCCCC2)cc1O
InChIInChI=1S/C20H26O6/c21-17-12-16(20(24)26-14-9-5-2-6-10-14)18(22)11-15(17)19(23)25-13-7-3-1-4-8-13/h11-14,21-22H,1-10H2
InChIKeyPZJLOQHQGPBJPY-UHFFFAOYSA-N
XLogP4.08
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

dicyclohexyl furan-3,4-dicarboxylate
CID 71348415
dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913
dicyclododecyl 5-hydroxybenzene-1,3-dicarboxylate
CID 22679066
dicyclopentyl 2-hydroxy-1,3-dioxoisoindole-5,6-dicarboxylate
CID 22247185
cycloheptyl 2-amino-4,5-dimethoxybenzoate
CID 61301747
cycloheptyl 3-amino-2-hydroxybenzoate
CID 113386635
cyclooctyl 6-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 71848549
cyclohexyl 2,6-dichloropyridine-4-carboxylate
CID 22157828
cyclohexyl 2-aminobenzoate
CID 24510
dicyclononyl carbonate
CID 139618210
cyclohexanol;cyclohexyl 2-hydroxybenzoate;methyl 2-hydroxybenzoate
CID 158563155
cycloheptyl 2-amino-5-iodobenzoate
CID 63541722

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl 2,5-dihydroxybenzene-1,4-dicarboxylate?
The IUPAC name of dicyclohexyl 2,5-dihydroxybenzene-1,4-dicarboxylate (CID 14121494) is dicyclohexyl 2,5-dihydroxybenzene-1,4-dicarboxylate.
What is the SMILES notation for dicyclohexyl 2,5-dihydroxybenzene-1,4-dicarboxylate?
The canonical SMILES for dicyclohexyl 2,5-dihydroxybenzene-1,4-dicarboxylate is O=C(OC1CCCCC1)c1cc(O)c(C(=O)OC2CCCCC2)cc1O.
What is the InChIKey of dicyclohexyl 2,5-dihydroxybenzene-1,4-dicarboxylate?
The InChIKey is PZJLOQHQGPBJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O6/c21-17-12-16(20(24)26-14-9-5-2-6-10-14)18(22)11-15(17)19(23)25-13-7-3-1-4-8-13/h11-14,21-22H,1-10H2.
What are the key properties of dicyclohexyl 2,5-dihydroxybenzene-1,4-dicarboxylate?
dicyclohexyl 2,5-dihydroxybenzene-1,4-dicarboxylate has a molecular weight of 362.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl 2,5-dihydroxybenzene-1,4-dicarboxylate is sourced from PubChem (CID 14121494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).