ethyl 4-cyano-5,5-bis(4-methoxyphenyl)-2-methylpent-4-enoate

C23H25NO4 — CID 139692656

IUPACethyl 4-cyano-5,5-bis(4-methoxyphenyl)-2-methylpent-4-enoate
SMILESCCOC(=O)C(C)CC(C#N)=C(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C23H25NO4/c1-5-28-23(25)16(2)14-19(15-24)22(17-6-10-20(26-3)11-7-17)18-8-12-21(27-4)13-9-18/h6-13,16H,5,14H2,1-4H3
InChIKeyCYTSIPPAVMRVJS-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.62
Rot. Bonds8

About ethyl 4-cyano-5,5-bis(4-methoxyphenyl)-2-methylpent-4-enoate

ethyl 4-cyano-5,5-bis(4-methoxyphenyl)-2-methylpent-4-enoate (PubChem CID 139692656) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is ethyl 4-cyano-5,5-bis(4-methoxyphenyl)-2-methylpent-4-enoate.

Molecular Properties

Compound Nameethyl 4-cyano-5,5-bis(4-methoxyphenyl)-2-methylpent-4-enoate
PubChem CID139692656
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Nameethyl 4-cyano-5,5-bis(4-methoxyphenyl)-2-methylpent-4-enoate
SMILESCCOC(=O)C(C)CC(C#N)=C(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C23H25NO4/c1-5-28-23(25)16(2)14-19(15-24)22(17-6-10-20(26-3)11-7-17)18-8-12-21(27-4)13-9-18/h6-13,16H,5,14H2,1-4H3
InChIKeyCYTSIPPAVMRVJS-UHFFFAOYSA-N
XLogP4.62
TPSA68.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-cyano-4,4-bis(4-methoxyphenyl)but-3-enoic acid
CID 19766912
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
ethyl (2R)-3-(4-methoxyphenyl)-2-methyl-3-oxopropanoate
CID 97035569
diethyl 2-[[(Z)-2-cyano-2-(4-methoxyphenyl)ethenyl]amino]propanedioate
CID 101342097
ethyl 2-cyano-5-(4-methoxyphenyl)hex-4-enoate
CID 71375900
ethyl 3,3-bis(4-methoxyphenyl)-2-methylprop-2-enoate
CID 19421674
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
ethyl (2R,3R)-2-amino-3-(4-methoxyphenyl)butanoate;ethyl (2S,3S)-2-amino-3-(4-methoxyphenyl)butanoate
CID 170905939
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 3-[cyclopropyl-(4-methoxybenzoyl)amino]-2-methylpropanoate
CID 84559994
ethyl (E)-2-cyano-4-(4-methoxyphenyl)-4-oxobut-2-enoate
CID 13295310
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyano-5,5-bis(4-methoxyphenyl)-2-methylpent-4-enoate?
The IUPAC name of ethyl 4-cyano-5,5-bis(4-methoxyphenyl)-2-methylpent-4-enoate (CID 139692656) is ethyl 4-cyano-5,5-bis(4-methoxyphenyl)-2-methylpent-4-enoate.
What is the SMILES notation for ethyl 4-cyano-5,5-bis(4-methoxyphenyl)-2-methylpent-4-enoate?
The canonical SMILES for ethyl 4-cyano-5,5-bis(4-methoxyphenyl)-2-methylpent-4-enoate is CCOC(=O)C(C)CC(C#N)=C(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of ethyl 4-cyano-5,5-bis(4-methoxyphenyl)-2-methylpent-4-enoate?
The InChIKey is CYTSIPPAVMRVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-5-28-23(25)16(2)14-19(15-24)22(17-6-10-20(26-3)11-7-17)18-8-12-21(27-4)13-9-18/h6-13,16H,5,14H2,1-4H3.
What are the key properties of ethyl 4-cyano-5,5-bis(4-methoxyphenyl)-2-methylpent-4-enoate?
ethyl 4-cyano-5,5-bis(4-methoxyphenyl)-2-methylpent-4-enoate has a molecular weight of 379.46 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyano-5,5-bis(4-methoxyphenyl)-2-methylpent-4-enoate is sourced from PubChem (CID 139692656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).