methyl 1-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]butanoyl]cyclopentane-1-carboxylate

C23H32O6 — CID 118309769

IUPACmethyl 1-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]butanoyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C(C)(C)Oc1ccc(CCCC(=O)C2(C(=O)OC)CCCC2)cc1
InChIInChI=1S/C23H32O6/c1-5-28-20(25)22(2,3)29-18-13-11-17(12-14-18)9-8-10-19(24)23(21(26)27-4)15-6-7-16-23/h11-14H,5-10,15-16H2,1-4H3
InChIKeySGZOYIMRRUYOJJ-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.03
Rot. Bonds10

About methyl 1-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]butanoyl]cyclopentane-1-carboxylate

methyl 1-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]butanoyl]cyclopentane-1-carboxylate (PubChem CID 118309769) has the molecular formula C23H32O6 and a molecular weight of 404.50 g/mol. Its IUPAC name is methyl 1-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]butanoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]butanoyl]cyclopentane-1-carboxylate
PubChem CID118309769
Molecular FormulaC23H32O6
Molecular Weight404.50 g/mol
Exact Mass404.22
IUPAC Namemethyl 1-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]butanoyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C(C)(C)Oc1ccc(CCCC(=O)C2(C(=O)OC)CCCC2)cc1
InChIInChI=1S/C23H32O6/c1-5-28-20(25)22(2,3)29-18-13-11-17(12-14-18)9-8-10-19(24)23(21(26)27-4)15-6-7-16-23/h11-14H,5-10,15-16H2,1-4H3
InChIKeySGZOYIMRRUYOJJ-UHFFFAOYSA-N
XLogP4.03
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 1-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]butanoyl]cyclopentane-1-carboxylate 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

ethyl 2-[4-(6-hydrazinyl-6-oxohexyl)phenoxy]-2-methylpropanoate
CID 59015968
ethyl 2-methyl-2-[4-[2-(3-phenylpropylamino)ethyl]phenoxy]propanoate
CID 69099777
ethyl 2-methyl-2-[4-[2-(2-phenylethylamino)ethyl]phenoxy]propanoate
CID 59298851
ethyl 2-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]phenoxy]-2-methylpropanoate
CID 3063023
ethyl 2-[4-(2-amino-2-oxoethyl)phenoxy]-2-methylpropanoate
CID 156541205
methyl 1-(4-butylphenoxy)cyclopentane-1-carboxylate
CID 143039549
ethyl 2-methyl-2-[4-(phenoxymethyl)phenoxy]propanoate
CID 154100490
ethyl 2-(4-ethynylphenoxy)-2-methylpropanoate
CID 21494890
ethyl 2-[4-(aminomethyl)phenoxy]-2-methylpropanoate;ethyl propanoate
CID 159171684
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydroiodide
CID 175590665
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;dihydrate
CID 70531737
[2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoyl]oxymethyl 1-(aminomethyl)cyclopropane-1-carboxylate
CID 139547657

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]butanoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]butanoyl]cyclopentane-1-carboxylate (CID 118309769) is methyl 1-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]butanoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]butanoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]butanoyl]cyclopentane-1-carboxylate is CCOC(=O)C(C)(C)Oc1ccc(CCCC(=O)C2(C(=O)OC)CCCC2)cc1.
What is the InChIKey of methyl 1-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]butanoyl]cyclopentane-1-carboxylate?
The InChIKey is SGZOYIMRRUYOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O6/c1-5-28-20(25)22(2,3)29-18-13-11-17(12-14-18)9-8-10-19(24)23(21(26)27-4)15-6-7-16-23/h11-14H,5-10,15-16H2,1-4H3.
What are the key properties of methyl 1-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]butanoyl]cyclopentane-1-carboxylate?
methyl 1-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]butanoyl]cyclopentane-1-carboxylate has a molecular weight of 404.50 g/mol, XLogP of 4.03, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]butanoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 118309769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).