ethyl 5-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-3-oxopentanoate

C17H24O5 — CID 11034192

IUPACethyl 5-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-3-oxopentanoate
SMILESCCOC(=O)CC(=O)C(C)(C)COCc1ccc(OC)cc1
InChIInChI=1S/C17H24O5/c1-5-22-16(19)10-15(18)17(2,3)12-21-11-13-6-8-14(20-4)9-7-13/h6-9H,5,10-12H2,1-4H3
InChIKeyYCADPYBZJQZGPD-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.76
Rot. Bonds9

About ethyl 5-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-3-oxopentanoate

ethyl 5-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-3-oxopentanoate (PubChem CID 11034192) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is ethyl 5-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-3-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-3-oxopentanoate
PubChem CID11034192
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Nameethyl 5-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-3-oxopentanoate
SMILESCCOC(=O)CC(=O)C(C)(C)COCc1ccc(OC)cc1
InChIInChI=1S/C17H24O5/c1-5-22-16(19)10-15(18)17(2,3)12-21-11-13-6-8-14(20-4)9-7-13/h6-9H,5,10-12H2,1-4H3
InChIKeyYCADPYBZJQZGPD-UHFFFAOYSA-N
XLogP2.76
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 5-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-3-oxopentanoate 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

N-tert-butyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-amine
CID 79628757
ethyl (E,4R)-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxohept-5-enoate
CID 102069802
ethyl (E,5R)-5-hydroxy-7-[(4-methoxyphenyl)methoxy]-6,6-dimethylhept-2-enoate
CID 134944528
ethyl 4-[(4-ethylphenyl)methoxy]-3-oxobutanoate
CID 18172568
ethyl 3-amino-5-(4-methoxyphenyl)-3-methylpentanoate
CID 79848371
2-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxymethyl]propane-1,3-diol
CID 15417178
ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate
CID 28574259
3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide
CID 64999486
4-O-[(4-methoxyphenyl)methyl] 1-O-(2,2,2-trichloroethyl) 2-methylidenebutanedioate
CID 163274266
ethyl 5-ethoxy-3-[1-[(4-methoxyphenyl)methoxy]-2-methylpropan-2-yl]-3,4-dihydro-2H-pyrrole-4-carboxylate
CID 68789808
1-[(2-methanidyl-2-methylpropoxy)methyl]-4-methoxybenzene;zinc;hydrobromide
CID 175502067
ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-3-oxopentanoate?
The IUPAC name of ethyl 5-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-3-oxopentanoate (CID 11034192) is ethyl 5-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-3-oxopentanoate.
What is the SMILES notation for ethyl 5-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-3-oxopentanoate?
The canonical SMILES for ethyl 5-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-3-oxopentanoate is CCOC(=O)CC(=O)C(C)(C)COCc1ccc(OC)cc1.
What is the InChIKey of ethyl 5-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-3-oxopentanoate?
The InChIKey is YCADPYBZJQZGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O5/c1-5-22-16(19)10-15(18)17(2,3)12-21-11-13-6-8-14(20-4)9-7-13/h6-9H,5,10-12H2,1-4H3.
What are the key properties of ethyl 5-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-3-oxopentanoate?
ethyl 5-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-3-oxopentanoate has a molecular weight of 308.37 g/mol, XLogP of 2.76, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-3-oxopentanoate is sourced from PubChem (CID 11034192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).