methyl 4-[(E)-methoxyiminomethyl]-5,5-bis(4-methoxyphenyl)pent-4-enoate

C22H25NO5 — CID 139610639

IUPACmethyl 4-[(E)-methoxyiminomethyl]-5,5-bis(4-methoxyphenyl)pent-4-enoate
SMILESCO/N=C/C(CCC(=O)OC)=C(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C22H25NO5/c1-25-19-10-5-16(6-11-19)22(17-7-12-20(26-2)13-8-17)18(15-23-28-4)9-14-21(24)27-3/h5-8,10-13,15H,9,14H2,1-4H3/b23-15+
InChIKeyBQTZPCVPQPTHNN-HZHRSRAPSA-N
MW383.44 g/mol
LogP4.09
Rot. Bonds9

About methyl 4-[(E)-methoxyiminomethyl]-5,5-bis(4-methoxyphenyl)pent-4-enoate

methyl 4-[(E)-methoxyiminomethyl]-5,5-bis(4-methoxyphenyl)pent-4-enoate (PubChem CID 139610639) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is methyl 4-[(E)-methoxyiminomethyl]-5,5-bis(4-methoxyphenyl)pent-4-enoate.

Molecular Properties

Compound Namemethyl 4-[(E)-methoxyiminomethyl]-5,5-bis(4-methoxyphenyl)pent-4-enoate
PubChem CID139610639
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Namemethyl 4-[(E)-methoxyiminomethyl]-5,5-bis(4-methoxyphenyl)pent-4-enoate
SMILESCO/N=C/C(CCC(=O)OC)=C(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C22H25NO5/c1-25-19-10-5-16(6-11-19)22(17-7-12-20(26-2)13-8-17)18(15-23-28-4)9-14-21(24)27-3/h5-8,10-13,15H,9,14H2,1-4H3/b23-15+
InChIKeyBQTZPCVPQPTHNN-HZHRSRAPSA-N
XLogP4.09
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-formyl-5,5-bis(4-methoxyphenyl)pent-4-enoate
CID 86169372
methyl 6-(hydroxyiminomethyl)-7,7-bis(4-methoxyphenyl)hept-6-enoate
CID 139610660
4-O-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 1-O-methyl butanedioate
CID 44543072
methyl 5,5-bis(4-methoxyphenyl)pent-4-enoate
CID 86169370
methyl 4,4-bis(4-methoxyphenyl)pentanoate
CID 118933680
methyl 3-[(4-methoxybenzoyl)-methylamino]propanoate
CID 54980118
4-(4-methoxy-4-oxobutanoyl)oxybenzoic acid
CID 54854970
methyl (Z)-7-amino-7-(4-methoxyphenyl)hept-6-enoate
CID 163449176
methyl 3-[[4-(4-methoxyphenoxy)benzoyl]amino]propanoate
CID 46989444
2,3,3-tris(4-methoxyphenyl)prop-2-enal
CID 13400445
4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione
CID 2782518
3-cyano-4,4-bis(4-methoxyphenyl)but-3-enoic acid
CID 19766912

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(E)-methoxyiminomethyl]-5,5-bis(4-methoxyphenyl)pent-4-enoate?
The IUPAC name of methyl 4-[(E)-methoxyiminomethyl]-5,5-bis(4-methoxyphenyl)pent-4-enoate (CID 139610639) is methyl 4-[(E)-methoxyiminomethyl]-5,5-bis(4-methoxyphenyl)pent-4-enoate.
What is the SMILES notation for methyl 4-[(E)-methoxyiminomethyl]-5,5-bis(4-methoxyphenyl)pent-4-enoate?
The canonical SMILES for methyl 4-[(E)-methoxyiminomethyl]-5,5-bis(4-methoxyphenyl)pent-4-enoate is CO/N=C/C(CCC(=O)OC)=C(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of methyl 4-[(E)-methoxyiminomethyl]-5,5-bis(4-methoxyphenyl)pent-4-enoate?
The InChIKey is BQTZPCVPQPTHNN-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H25NO5/c1-25-19-10-5-16(6-11-19)22(17-7-12-20(26-2)13-8-17)18(15-23-28-4)9-14-21(24)27-3/h5-8,10-13,15H,9,14H2,1-4H3/b23-15+.
What are the key properties of methyl 4-[(E)-methoxyiminomethyl]-5,5-bis(4-methoxyphenyl)pent-4-enoate?
methyl 4-[(E)-methoxyiminomethyl]-5,5-bis(4-methoxyphenyl)pent-4-enoate has a molecular weight of 383.44 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(E)-methoxyiminomethyl]-5,5-bis(4-methoxyphenyl)pent-4-enoate is sourced from PubChem (CID 139610639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).