2-[[(2E,4E,6Z)-5-ethenyl-11-[(3E)-hexa-1,3,5-trien-3-yl]oxy-6-methoxy-8-methylideneundeca-2,4,6-trien-3-yl]oxymethyl]-1-methylpyrrolidine

C27H39NO3 — CID 143976883

IUPAC2-[[(2E,4E,6Z)-5-ethenyl-11-[(3E)-hexa-1,3,5-trien-3-yl]oxy-6-methoxy-8-methylideneundeca-2,4,6-trien-3-yl]oxymethyl]-1-methylpyrrolidine
SMILESC=C/C=C(\C=C)OCCCC(=C)/C=C(OC)/C(C=C)=C/C(=C\C)OCC1CCCN1C
InChIInChI=1S/C27H39NO3/c1-8-14-25(10-3)30-18-13-15-22(5)19-27(29-7)23(9-2)20-26(11-4)31-21-24-16-12-17-28(24)6/h8-11,14,19-20,24H,1-3,5,12-13,15-18,21H2,4,6-7H3/b23-20+,25-14+,26-11+,27-19-
InChIKeyWPKMGFOOHKNSGH-PLDXPQLYSA-N
MW425.61 g/mol
LogP6.25
Rot. Bonds15

About 2-[[(2E,4E,6Z)-5-ethenyl-11-[(3E)-hexa-1,3,5-trien-3-yl]oxy-6-methoxy-8-methylideneundeca-2,4,6-trien-3-yl]oxymethyl]-1-methylpyrrolidine

2-[[(2E,4E,6Z)-5-ethenyl-11-[(3E)-hexa-1,3,5-trien-3-yl]oxy-6-methoxy-8-methylideneundeca-2,4,6-trien-3-yl]oxymethyl]-1-methylpyrrolidine (PubChem CID 143976883) has the molecular formula C27H39NO3 and a molecular weight of 425.61 g/mol. Its IUPAC name is 2-[[(2E,4E,6Z)-5-ethenyl-11-[(3E)-hexa-1,3,5-trien-3-yl]oxy-6-methoxy-8-methylideneundeca-2,4,6-trien-3-yl]oxymethyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name2-[[(2E,4E,6Z)-5-ethenyl-11-[(3E)-hexa-1,3,5-trien-3-yl]oxy-6-methoxy-8-methylideneundeca-2,4,6-trien-3-yl]oxymethyl]-1-methylpyrrolidine
PubChem CID143976883
Molecular FormulaC27H39NO3
Molecular Weight425.61 g/mol
Exact Mass425.29
IUPAC Name2-[[(2E,4E,6Z)-5-ethenyl-11-[(3E)-hexa-1,3,5-trien-3-yl]oxy-6-methoxy-8-methylideneundeca-2,4,6-trien-3-yl]oxymethyl]-1-methylpyrrolidine
SMILESC=C/C=C(\C=C)OCCCC(=C)/C=C(OC)/C(C=C)=C/C(=C\C)OCC1CCCN1C
InChIInChI=1S/C27H39NO3/c1-8-14-25(10-3)30-18-13-15-22(5)19-27(29-7)23(9-2)20-26(11-4)31-21-24-16-12-17-28(24)6/h8-11,14,19-20,24H,1-3,5,12-13,15-18,21H2,4,6-7H3/b23-20+,25-14+,26-11+,27-19-
InChIKeyWPKMGFOOHKNSGH-PLDXPQLYSA-N
XLogP6.25
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.61
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-[[(2E,4E,6Z)-5-ethenyl-11-[(3E)-hexa-1,3,5-trien-3-yl]oxy-6-methoxy-8-methylideneundeca-2,4,6-trien-3-yl]oxymethyl]-1-methylpyrrolidine with MolForge

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

Launch Full Analysis

Related Compounds

1-[1-(6-Methoxycyclohexa-1,3-dien-1-yl)ethyl]-2-(methoxymethyl)pyrrolidine
CID 89688833
ethane;(2R)-2-ethyl-1-[2-[(Z,2E)-2-ethylidenepent-3-enoxy]ethyl]-1-methylpyrrolidin-1-ium
CID 142980175
tert-butyl 2-[[(3Z,5E)-5-[(Z,2E)-2-propylidenehept-4-enoxy]octa-3,5-dien-2-yl]oxymethyl]pyrrolidine-1-carboxylate
CID 143435312
ethane;(2R)-2-[[4-[(Z,2E)-2-ethylidenehex-3-enoxy]cyclohepta-1,3,6-trien-1-yl]oxymethyl]pyrrolidine
CID 143435316
ethane;2-[[(2Z,5E)-5-[(2E,4Z)-hepta-2,4,6-trienoxy]octa-2,5,7-trienoxy]methyl]pyrrolidine
CID 143435369
(2E)-1-methyl-3-methylidene-2-[(E)-2-[(1-methylpyrrolidin-2-yl)methoxy]but-2-enylidene]pyrrole
CID 156080728
(Z)-(2-methoxycyclohexa-2,5-dien-1-ylidene)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanol
CID 14223716
(Z)-(2-methoxycyclohexa-2,5-dien-1-ylidene)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanolate
CID 101624541
1-[2-[(3Z,6E,8E)-8-ethenyl-6-[(Z,1E)-1-ethylidenepent-2-enyl]-7-methyl-5-methylideneundeca-1,3,6,8,10-pentaen-2-yl]oxyethyl]pyrrolidine
CID 143378620
(2R)-2-[[4-[(Z,2E)-2-ethylidenehex-3-enoxy]cyclohepta-1,3,6-trien-1-yl]oxymethyl]pyrrolidine
CID 143435317
1-butyl-2-[[(2Z,4Z)-4-ethylhexa-2,4-dienoxy]methyl]pyrrolidine
CID 143435434
2-[[(4E)-3,7-dimethylnona-4,6-dien-4-yl]oxymethyl]-1-methylpyrrolidine
CID 168909548

Frequently Asked Questions

What is the IUPAC name of 2-[[(2E,4E,6Z)-5-ethenyl-11-[(3E)-hexa-1,3,5-trien-3-yl]oxy-6-methoxy-8-methylideneundeca-2,4,6-trien-3-yl]oxymethyl]-1-methylpyrrolidine?
The IUPAC name of 2-[[(2E,4E,6Z)-5-ethenyl-11-[(3E)-hexa-1,3,5-trien-3-yl]oxy-6-methoxy-8-methylideneundeca-2,4,6-trien-3-yl]oxymethyl]-1-methylpyrrolidine (CID 143976883) is 2-[[(2E,4E,6Z)-5-ethenyl-11-[(3E)-hexa-1,3,5-trien-3-yl]oxy-6-methoxy-8-methylideneundeca-2,4,6-trien-3-yl]oxymethyl]-1-methylpyrrolidine.
What is the SMILES notation for 2-[[(2E,4E,6Z)-5-ethenyl-11-[(3E)-hexa-1,3,5-trien-3-yl]oxy-6-methoxy-8-methylideneundeca-2,4,6-trien-3-yl]oxymethyl]-1-methylpyrrolidine?
The canonical SMILES for 2-[[(2E,4E,6Z)-5-ethenyl-11-[(3E)-hexa-1,3,5-trien-3-yl]oxy-6-methoxy-8-methylideneundeca-2,4,6-trien-3-yl]oxymethyl]-1-methylpyrrolidine is C=C/C=C(\C=C)OCCCC(=C)/C=C(OC)/C(C=C)=C/C(=C\C)OCC1CCCN1C.
What is the InChIKey of 2-[[(2E,4E,6Z)-5-ethenyl-11-[(3E)-hexa-1,3,5-trien-3-yl]oxy-6-methoxy-8-methylideneundeca-2,4,6-trien-3-yl]oxymethyl]-1-methylpyrrolidine?
The InChIKey is WPKMGFOOHKNSGH-PLDXPQLYSA-N. The full InChI is InChI=1S/C27H39NO3/c1-8-14-25(10-3)30-18-13-15-22(5)19-27(29-7)23(9-2)20-26(11-4)31-21-24-16-12-17-28(24)6/h8-11,14,19-20,24H,1-3,5,12-13,15-18,21H2,4,6-7H3/b23-20+,25-14+,26-11+,27-19-.
What are the key properties of 2-[[(2E,4E,6Z)-5-ethenyl-11-[(3E)-hexa-1,3,5-trien-3-yl]oxy-6-methoxy-8-methylideneundeca-2,4,6-trien-3-yl]oxymethyl]-1-methylpyrrolidine?
2-[[(2E,4E,6Z)-5-ethenyl-11-[(3E)-hexa-1,3,5-trien-3-yl]oxy-6-methoxy-8-methylideneundeca-2,4,6-trien-3-yl]oxymethyl]-1-methylpyrrolidine has a molecular weight of 425.61 g/mol, XLogP of 6.25, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E,4E,6Z)-5-ethenyl-11-[(3E)-hexa-1,3,5-trien-3-yl]oxy-6-methoxy-8-methylideneundeca-2,4,6-trien-3-yl]oxymethyl]-1-methylpyrrolidine is sourced from PubChem (CID 143976883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).