diethyl 2,3-dicyclohexylbutanedioate

C20H34O4 — CID 10125898

IUPACdiethyl 2,3-dicyclohexylbutanedioate
SMILESCCOC(=O)C(C1CCCCC1)C(C(=O)OCC)C1CCCCC1
InChIInChI=1S/C20H34O4/c1-3-23-19(21)17(15-11-7-5-8-12-15)18(20(22)24-4-2)16-13-9-6-10-14-16/h15-18H,3-14H2,1-2H3
InChIKeyCXKANZAMPQTLBJ-UHFFFAOYSA-N
MW338.49 g/mol
LogP4.51
Rot. Bonds7

About diethyl 2,3-dicyclohexylbutanedioate

diethyl 2,3-dicyclohexylbutanedioate (PubChem CID 10125898) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is diethyl 2,3-dicyclohexylbutanedioate.

Molecular Properties

Compound Namediethyl 2,3-dicyclohexylbutanedioate
PubChem CID10125898
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Namediethyl 2,3-dicyclohexylbutanedioate
SMILESCCOC(=O)C(C1CCCCC1)C(C(=O)OCC)C1CCCCC1
InChIInChI=1S/C20H34O4/c1-3-23-19(21)17(15-11-7-5-8-12-15)18(20(22)24-4-2)16-13-9-6-10-14-16/h15-18H,3-14H2,1-2H3
InChIKeyCXKANZAMPQTLBJ-UHFFFAOYSA-N
XLogP4.51
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of diethyl 2,3-dicyclohexylbutanedioate?
The IUPAC name of diethyl 2,3-dicyclohexylbutanedioate (CID 10125898) is diethyl 2,3-dicyclohexylbutanedioate.
What is the SMILES notation for diethyl 2,3-dicyclohexylbutanedioate?
The canonical SMILES for diethyl 2,3-dicyclohexylbutanedioate is CCOC(=O)C(C1CCCCC1)C(C(=O)OCC)C1CCCCC1.
What is the InChIKey of diethyl 2,3-dicyclohexylbutanedioate?
The InChIKey is CXKANZAMPQTLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O4/c1-3-23-19(21)17(15-11-7-5-8-12-15)18(20(22)24-4-2)16-13-9-6-10-14-16/h15-18H,3-14H2,1-2H3.
What are the key properties of diethyl 2,3-dicyclohexylbutanedioate?
diethyl 2,3-dicyclohexylbutanedioate has a molecular weight of 338.49 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,3-dicyclohexylbutanedioate is sourced from PubChem (CID 10125898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).