6-ethenyl-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-(2-methylprop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C22H35NO6 — CID 118884064

IUPAC6-ethenyl-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-(2-methylprop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESC=CC1CC(C=C(C)C)C2C(=O)N(CCOCCOCCOCCOC)C(=O)C12
InChIInChI=1S/C22H35NO6/c1-5-17-15-18(14-16(2)3)20-19(17)21(24)23(22(20)25)6-7-27-10-11-29-13-12-28-9-8-26-4/h5,14,17-20H,1,6-13,15H2,2-4H3
InChIKeyLUACDOFEWMICNU-UHFFFAOYSA-N
MW409.52 g/mol
LogP2.07
Rot. Bonds14

About 6-ethenyl-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-(2-methylprop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

6-ethenyl-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-(2-methylprop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 118884064) has the molecular formula C22H35NO6 and a molecular weight of 409.52 g/mol. Its IUPAC name is 6-ethenyl-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-(2-methylprop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name6-ethenyl-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-(2-methylprop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID118884064
Molecular FormulaC22H35NO6
Molecular Weight409.52 g/mol
Exact Mass409.25
IUPAC Name6-ethenyl-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-(2-methylprop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESC=CC1CC(C=C(C)C)C2C(=O)N(CCOCCOCCOCCOC)C(=O)C12
InChIInChI=1S/C22H35NO6/c1-5-17-15-18(14-16(2)3)20-19(17)21(24)23(22(20)25)6-7-27-10-11-29-13-12-28-9-8-26-4/h5,14,17-20H,1,6-13,15H2,2-4H3
InChIKeyLUACDOFEWMICNU-UHFFFAOYSA-N
XLogP2.07
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-(2-methylprop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 6-ethenyl-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-(2-methylprop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 118884064) is 6-ethenyl-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-(2-methylprop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 6-ethenyl-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-(2-methylprop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 6-ethenyl-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-(2-methylprop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is C=CC1CC(C=C(C)C)C2C(=O)N(CCOCCOCCOCCOC)C(=O)C12.
What is the InChIKey of 6-ethenyl-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-(2-methylprop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is LUACDOFEWMICNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO6/c1-5-17-15-18(14-16(2)3)20-19(17)21(24)23(22(20)25)6-7-27-10-11-29-13-12-28-9-8-26-4/h5,14,17-20H,1,6-13,15H2,2-4H3.
What are the key properties of 6-ethenyl-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-(2-methylprop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
6-ethenyl-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-(2-methylprop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 409.52 g/mol, XLogP of 2.07, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-(2-methylprop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 118884064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).