2-cyclohexyl-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione

C27H33NO6 — CID 164612392

IUPAC2-cyclohexyl-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione
SMILESO=C1c2cccc(OCCOCCOCCOCc3ccccc3)c2C(=O)N1C1CCCCC1
InChIInChI=1S/C27H33NO6/c29-26-23-12-7-13-24(25(23)27(30)28(26)22-10-5-2-6-11-22)34-19-18-32-15-14-31-16-17-33-20-21-8-3-1-4-9-21/h1,3-4,7-9,12-13,22H,2,5-6,10-11,14-20H2
InChIKeyOZCBGPWGOMVJHV-UHFFFAOYSA-N
MW467.56 g/mol
LogP4.24
Rot. Bonds13

About 2-cyclohexyl-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione

2-cyclohexyl-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione (PubChem CID 164612392) has the molecular formula C27H33NO6 and a molecular weight of 467.56 g/mol. Its IUPAC name is 2-cyclohexyl-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-cyclohexyl-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione
PubChem CID164612392
Molecular FormulaC27H33NO6
Molecular Weight467.56 g/mol
Exact Mass467.23
IUPAC Name2-cyclohexyl-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione
SMILESO=C1c2cccc(OCCOCCOCCOCc3ccccc3)c2C(=O)N1C1CCCCC1
InChIInChI=1S/C27H33NO6/c29-26-23-12-7-13-24(25(23)27(30)28(26)22-10-5-2-6-11-22)34-19-18-32-15-14-31-16-17-33-20-21-8-3-1-4-9-21/h1,3-4,7-9,12-13,22H,2,5-6,10-11,14-20H2
InChIKeyOZCBGPWGOMVJHV-UHFFFAOYSA-N
XLogP4.24
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.56
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione?
The IUPAC name of 2-cyclohexyl-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione (CID 164612392) is 2-cyclohexyl-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-cyclohexyl-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione?
The canonical SMILES for 2-cyclohexyl-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione is O=C1c2cccc(OCCOCCOCCOCc3ccccc3)c2C(=O)N1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione?
The InChIKey is OZCBGPWGOMVJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO6/c29-26-23-12-7-13-24(25(23)27(30)28(26)22-10-5-2-6-11-22)34-19-18-32-15-14-31-16-17-33-20-21-8-3-1-4-9-21/h1,3-4,7-9,12-13,22H,2,5-6,10-11,14-20H2.
What are the key properties of 2-cyclohexyl-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione?
2-cyclohexyl-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione has a molecular weight of 467.56 g/mol, XLogP of 4.24, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione is sourced from PubChem (CID 164612392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).