1-[2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione

C21H35NO5 — CID 18439145

IUPAC1-[2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione
SMILESCC(C)(C)OC1CC(N2C(=O)C=CC2=O)C(OC(C)(C)C)C1OC(C)(C)C
InChIInChI=1S/C21H35NO5/c1-19(2,3)25-14-12-13(22-15(23)10-11-16(22)24)17(26-20(4,5)6)18(14)27-21(7,8)9/h10-11,13-14,17-18H,12H2,1-9H3
InChIKeyWGBXBULRRWRQCQ-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.23
Rot. Bonds4

About 1-[2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione

1-[2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione (PubChem CID 18439145) has the molecular formula C21H35NO5 and a molecular weight of 381.51 g/mol. Its IUPAC name is 1-[2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione
PubChem CID18439145
Molecular FormulaC21H35NO5
Molecular Weight381.51 g/mol
Exact Mass381.25
IUPAC Name1-[2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione
SMILESCC(C)(C)OC1CC(N2C(=O)C=CC2=O)C(OC(C)(C)C)C1OC(C)(C)C
InChIInChI=1S/C21H35NO5/c1-19(2,3)25-14-12-13(22-15(23)10-11-16(22)24)17(26-20(4,5)6)18(14)27-21(7,8)9/h10-11,13-14,17-18H,12H2,1-9H3
InChIKeyWGBXBULRRWRQCQ-UHFFFAOYSA-N
XLogP3.23
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione (CID 18439145) is 1-[2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione is CC(C)(C)OC1CC(N2C(=O)C=CC2=O)C(OC(C)(C)C)C1OC(C)(C)C.
What is the InChIKey of 1-[2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione?
The InChIKey is WGBXBULRRWRQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO5/c1-19(2,3)25-14-12-13(22-15(23)10-11-16(22)24)17(26-20(4,5)6)18(14)27-21(7,8)9/h10-11,13-14,17-18H,12H2,1-9H3.
What are the key properties of 1-[2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione?
1-[2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione has a molecular weight of 381.51 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3,4-tris[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione is sourced from PubChem (CID 18439145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).