2-[4-[2-[4-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxyethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate

C39H58N2O10 — CID 22084348

IUPAC2-[4-[2-[4-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxyethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESCC(C)(C1CCC(OCCOC(=O)CCCCCN2C(=O)C=CC2=O)CC1)C1CCC(OCCOC(=O)CCCCCN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C39H58N2O10/c1-39(2,29-11-15-31(16-12-29)48-25-27-50-37(46)9-5-3-7-23-40-33(42)19-20-34(40)43)30-13-17-32(18-14-30)49-26-28-51-38(47)10-6-4-8-24-41-35(44)21-22-36(41)45/h19-22,29-32H,3-18,23-28H2,1-2H3
InChIKeyMZDKWPYTZILBPQ-UHFFFAOYSA-N
MW714.90 g/mol
LogP5.22
Rot. Bonds22

About 2-[4-[2-[4-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxyethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate

2-[4-[2-[4-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxyethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate (PubChem CID 22084348) has the molecular formula C39H58N2O10 and a molecular weight of 714.90 g/mol. Its IUPAC name is 2-[4-[2-[4-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxyethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate.

Molecular Properties

Compound Name2-[4-[2-[4-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxyethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
PubChem CID22084348
Molecular FormulaC39H58N2O10
Molecular Weight714.90 g/mol
Exact Mass714.41
IUPAC Name2-[4-[2-[4-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxyethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESCC(C)(C1CCC(OCCOC(=O)CCCCCN2C(=O)C=CC2=O)CC1)C1CCC(OCCOC(=O)CCCCCN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C39H58N2O10/c1-39(2,29-11-15-31(16-12-29)48-25-27-50-37(46)9-5-3-7-23-40-33(42)19-20-34(40)43)30-13-17-32(18-14-30)49-26-28-51-38(47)10-6-4-8-24-41-35(44)21-22-36(41)45/h19-22,29-32H,3-18,23-28H2,1-2H3
InChIKeyMZDKWPYTZILBPQ-UHFFFAOYSA-N
XLogP5.22
TPSA145.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.90
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[4-[2-[4-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxyethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxyethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The IUPAC name of 2-[4-[2-[4-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxyethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate (CID 22084348) is 2-[4-[2-[4-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxyethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate.
What is the SMILES notation for 2-[4-[2-[4-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxyethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The canonical SMILES for 2-[4-[2-[4-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxyethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate is CC(C)(C1CCC(OCCOC(=O)CCCCCN2C(=O)C=CC2=O)CC1)C1CCC(OCCOC(=O)CCCCCN2C(=O)C=CC2=O)CC1.
What is the InChIKey of 2-[4-[2-[4-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxyethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The InChIKey is MZDKWPYTZILBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H58N2O10/c1-39(2,29-11-15-31(16-12-29)48-25-27-50-37(46)9-5-3-7-23-40-33(42)19-20-34(40)43)30-13-17-32(18-14-30)49-26-28-51-38(47)10-6-4-8-24-41-35(44)21-22-36(41)45/h19-22,29-32H,3-18,23-28H2,1-2H3.
What are the key properties of 2-[4-[2-[4-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxyethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
2-[4-[2-[4-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxyethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate has a molecular weight of 714.90 g/mol, XLogP of 5.22, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxyethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate is sourced from PubChem (CID 22084348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).