6-[4-[(E)-3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylprop-2-enoate

C23H27NO7 — CID 102591600

IUPAC6-[4-[(E)-3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCOc1ccc(/C=C/C(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C23H27NO7/c1-17(2)23(28)30-16-6-4-3-5-15-29-19-10-7-18(8-11-19)9-14-22(27)31-24-20(25)12-13-21(24)26/h7-11,14H,1,3-6,12-13,15-16H2,2H3/b14-9+
InChIKeyKZGKMVCYEGSSMN-NTEUORMPSA-N
MW429.47 g/mol
LogP3.37
Rot. Bonds12

About 6-[4-[(E)-3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylprop-2-enoate

6-[4-[(E)-3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylprop-2-enoate (PubChem CID 102591600) has the molecular formula C23H27NO7 and a molecular weight of 429.47 g/mol. Its IUPAC name is 6-[4-[(E)-3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name6-[4-[(E)-3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylprop-2-enoate
PubChem CID102591600
Molecular FormulaC23H27NO7
Molecular Weight429.47 g/mol
Exact Mass429.18
IUPAC Name6-[4-[(E)-3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCOc1ccc(/C=C/C(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C23H27NO7/c1-17(2)23(28)30-16-6-4-3-5-15-29-19-10-7-18(8-11-19)9-14-22(27)31-24-20(25)12-13-21(24)26/h7-11,14H,1,3-6,12-13,15-16H2,2H3/b14-9+
InChIKeyKZGKMVCYEGSSMN-NTEUORMPSA-N
XLogP3.37
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-[4-[(E)-3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylprop-2-enoate 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

6-[4-(3-oxo-3-pentoxyprop-1-enyl)phenoxy]hexyl 2-methylprop-2-enoate
CID 67323026
6-[4-(3-hexadecoxy-3-oxoprop-1-enyl)phenoxy]hexyl 2-methylprop-2-enoate
CID 67323709
6-[4-[(E)-3-(4-methoxyphenoxy)-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylprop-2-enoate
CID 100959401
2-[(E)-3-(4-tetradecoxyphenyl)prop-2-enoyl]oxyethyl 2-methylprop-2-enoate
CID 153307176
2-[(E)-3-(4-dodecoxyphenyl)prop-2-enoyl]oxyethyl 2-methylprop-2-enoate
CID 12637024
6-[4-[4-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxybutoxy]phenyl]phenoxy]hexyl 2-methylprop-2-enoate
CID 170647391
6-[4-[(E)-3-oxo-3-(2,2,2-trifluoroethoxy)prop-1-enyl]phenoxy]hexyl 2-methylprop-2-enoate
CID 137481787
6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyhexyl 2-methylprop-2-enoate
CID 59608803
(2,5-dioxopyrrolidin-1-yl) 4-[[4-[10-(2-methylprop-2-enoyloxy)decoxy]phenyl]diazenyl]benzoate
CID 102039572
6-[4-[4-[9-[(E)-3-phenylprop-2-enoyl]oxynonoxy]phenyl]phenoxy]hexyl 2-methylprop-2-enoate
CID 101433036
6-[4-[4-[8-[(E)-3-phenylprop-2-enoyl]oxyoctoxy]phenyl]phenoxy]hexyl 2-methylprop-2-enoate
CID 101433035
6-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylprop-2-enoate;(4-methylphenyl) 2-methylprop-2-enoate
CID 162076203

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(E)-3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylprop-2-enoate?
The IUPAC name of 6-[4-[(E)-3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylprop-2-enoate (CID 102591600) is 6-[4-[(E)-3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylprop-2-enoate.
What is the SMILES notation for 6-[4-[(E)-3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylprop-2-enoate?
The canonical SMILES for 6-[4-[(E)-3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCOc1ccc(/C=C/C(=O)ON2C(=O)CCC2=O)cc1.
What is the InChIKey of 6-[4-[(E)-3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylprop-2-enoate?
The InChIKey is KZGKMVCYEGSSMN-NTEUORMPSA-N. The full InChI is InChI=1S/C23H27NO7/c1-17(2)23(28)30-16-6-4-3-5-15-29-19-10-7-18(8-11-19)9-14-22(27)31-24-20(25)12-13-21(24)26/h7-11,14H,1,3-6,12-13,15-16H2,2H3/b14-9+.
What are the key properties of 6-[4-[(E)-3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylprop-2-enoate?
6-[4-[(E)-3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylprop-2-enoate has a molecular weight of 429.47 g/mol, XLogP of 3.37, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(E)-3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylprop-2-enoate is sourced from PubChem (CID 102591600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).