ethyl 5-methoxy-5-(4-methoxyphenyl)-4,4-dimethylpent-2-enoate

C17H24O4 — CID 68621070

IUPACethyl 5-methoxy-5-(4-methoxyphenyl)-4,4-dimethylpent-2-enoate
SMILESCCOC(=O)C=CC(C)(C)C(OC)c1ccc(OC)cc1
InChIInChI=1S/C17H24O4/c1-6-21-15(18)11-12-17(2,3)16(20-5)13-7-9-14(19-4)10-8-13/h7-12,16H,6H2,1-5H3
InChIKeyYSOHXNGXRNHMFP-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.53
Rot. Bonds7

About ethyl 5-methoxy-5-(4-methoxyphenyl)-4,4-dimethylpent-2-enoate

ethyl 5-methoxy-5-(4-methoxyphenyl)-4,4-dimethylpent-2-enoate (PubChem CID 68621070) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 5-methoxy-5-(4-methoxyphenyl)-4,4-dimethylpent-2-enoate.

Molecular Properties

Compound Nameethyl 5-methoxy-5-(4-methoxyphenyl)-4,4-dimethylpent-2-enoate
PubChem CID68621070
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Nameethyl 5-methoxy-5-(4-methoxyphenyl)-4,4-dimethylpent-2-enoate
SMILESCCOC(=O)C=CC(C)(C)C(OC)c1ccc(OC)cc1
InChIInChI=1S/C17H24O4/c1-6-21-15(18)11-12-17(2,3)16(20-5)13-7-9-14(19-4)10-8-13/h7-12,16H,6H2,1-5H3
InChIKeyYSOHXNGXRNHMFP-UHFFFAOYSA-N
XLogP3.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide
CID 74015246
N-(2-aminophenyl)-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide
CID 74015249
ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pent-2-enoate
CID 11703319
ethyl 4-(4-methoxyphenoxy)but-2-enoate
CID 71364668
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
1-O-ethyl 4-O-[2-(4-methoxyphenoxy)-2-oxoethyl] but-2-enedioate
CID 69126314
ethyl 5-(4-methoxyphenyl)pent-2-enoate
CID 66971568
ethyl (Z,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-enoate
CID 53380978
1-O-ethyl 4-O-[1-(4-methoxyphenoxy)-1-oxobutan-2-yl] (Z)-but-2-enedioate
CID 69126144
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214
tetraethyl (2R,3S)-2,3-bis(4-methoxyphenyl)butane-1,1,4,4-tetracarboxylate
CID 10602909
ethyl (E)-3-(7-methoxy-2-methylquinolin-4-yl)prop-2-enoate
CID 82580013

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-5-(4-methoxyphenyl)-4,4-dimethylpent-2-enoate?
The IUPAC name of ethyl 5-methoxy-5-(4-methoxyphenyl)-4,4-dimethylpent-2-enoate (CID 68621070) is ethyl 5-methoxy-5-(4-methoxyphenyl)-4,4-dimethylpent-2-enoate.
What is the SMILES notation for ethyl 5-methoxy-5-(4-methoxyphenyl)-4,4-dimethylpent-2-enoate?
The canonical SMILES for ethyl 5-methoxy-5-(4-methoxyphenyl)-4,4-dimethylpent-2-enoate is CCOC(=O)C=CC(C)(C)C(OC)c1ccc(OC)cc1.
What is the InChIKey of ethyl 5-methoxy-5-(4-methoxyphenyl)-4,4-dimethylpent-2-enoate?
The InChIKey is YSOHXNGXRNHMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-6-21-15(18)11-12-17(2,3)16(20-5)13-7-9-14(19-4)10-8-13/h7-12,16H,6H2,1-5H3.
What are the key properties of ethyl 5-methoxy-5-(4-methoxyphenyl)-4,4-dimethylpent-2-enoate?
ethyl 5-methoxy-5-(4-methoxyphenyl)-4,4-dimethylpent-2-enoate has a molecular weight of 292.38 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxy-5-(4-methoxyphenyl)-4,4-dimethylpent-2-enoate is sourced from PubChem (CID 68621070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).