dicyclohexyl benzene-1,2-dicarboxylate

C20H26O4 — CID 6777

IUPACdicyclohexyl benzene-1,2-dicarboxylate
SMILESO=C(OC1CCCCC1)c1ccccc1C(=O)OC1CCCCC1
InChIInChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
InChIKeyVOWAEIGWURALJQ-UHFFFAOYSA-N
MW330.42 g/mol
LogP4.67
Rot. Bonds4

About dicyclohexyl benzene-1,2-dicarboxylate

dicyclohexyl benzene-1,2-dicarboxylate (PubChem CID 6777) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is dicyclohexyl benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namedicyclohexyl benzene-1,2-dicarboxylate
PubChem CID6777
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Namedicyclohexyl benzene-1,2-dicarboxylate
SMILESO=C(OC1CCCCC1)c1ccccc1C(=O)OC1CCCCC1
InChIInChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
InChIKeyVOWAEIGWURALJQ-UHFFFAOYSA-N
XLogP4.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl benzene-1,2-dicarboxylate?
The IUPAC name of dicyclohexyl benzene-1,2-dicarboxylate (CID 6777) is dicyclohexyl benzene-1,2-dicarboxylate.
What is the SMILES notation for dicyclohexyl benzene-1,2-dicarboxylate?
The canonical SMILES for dicyclohexyl benzene-1,2-dicarboxylate is O=C(OC1CCCCC1)c1ccccc1C(=O)OC1CCCCC1.
What is the InChIKey of dicyclohexyl benzene-1,2-dicarboxylate?
The InChIKey is VOWAEIGWURALJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2.
What are the key properties of dicyclohexyl benzene-1,2-dicarboxylate?
dicyclohexyl benzene-1,2-dicarboxylate has a molecular weight of 330.42 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl benzene-1,2-dicarboxylate is sourced from PubChem (CID 6777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).