ethyl 2-(3-ethoxy-3-methylcyclopentyl)-2-methylpropanoate

C14H26O3 — CID 58645261

IUPACethyl 2-(3-ethoxy-3-methylcyclopentyl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)C1CCC(C)(OCC)C1
InChIInChI=1S/C14H26O3/c1-6-16-12(15)13(3,4)11-8-9-14(5,10-11)17-7-2/h11H,6-10H2,1-5H3
InChIKeyLVFWDMHQJYQFMX-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.17
Rot. Bonds5

About ethyl 2-(3-ethoxy-3-methylcyclopentyl)-2-methylpropanoate

ethyl 2-(3-ethoxy-3-methylcyclopentyl)-2-methylpropanoate (PubChem CID 58645261) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl 2-(3-ethoxy-3-methylcyclopentyl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(3-ethoxy-3-methylcyclopentyl)-2-methylpropanoate
PubChem CID58645261
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Nameethyl 2-(3-ethoxy-3-methylcyclopentyl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)C1CCC(C)(OCC)C1
InChIInChI=1S/C14H26O3/c1-6-16-12(15)13(3,4)11-8-9-14(5,10-11)17-7-2/h11H,6-10H2,1-5H3
InChIKeyLVFWDMHQJYQFMX-UHFFFAOYSA-N
XLogP3.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(2R,3S)-2,3-dimethyl-5-oxooxolan-2-yl]butanoate
CID 134919074
Cyclopropanecarboxylic Acid, 3-(2-methoxy-2-methylpropyl)-2,2-dimethyl-, Methyl Ester
CID 178959
Ethyl 2-(3-hydroxy-2,2,4-trimethylcyclopentyl)acetate
CID 262813
Cyclopentanecarboxylic acid, 3-acetoxy-2-acetoxymethyl-4,4-dimethyl-, methyl ester
CID 598336
Diethyl 1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 249827
trans-diethyl (1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 12070711
Ethyl 3,3-dimethyl-2-(2-hydroxy-2-methylpropyl)-cyclopropane-1-carboxylate
CID 20484847
Methyl 2-[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetate
CID 20764652
Methyl 1-oxaspiro[4.4]nonane-8-carboxylate
CID 54083792
trans-1-O-tert-butyl 3-O-methyl (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 57319140
methyl 2-[(1R,3R)-3-ethoxycyclopentyl]acetate
CID 57577339
cis-methyl (1S,3R)-3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate
CID 58476984

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethoxy-3-methylcyclopentyl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(3-ethoxy-3-methylcyclopentyl)-2-methylpropanoate (CID 58645261) is ethyl 2-(3-ethoxy-3-methylcyclopentyl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(3-ethoxy-3-methylcyclopentyl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(3-ethoxy-3-methylcyclopentyl)-2-methylpropanoate is CCOC(=O)C(C)(C)C1CCC(C)(OCC)C1.
What is the InChIKey of ethyl 2-(3-ethoxy-3-methylcyclopentyl)-2-methylpropanoate?
The InChIKey is LVFWDMHQJYQFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-6-16-12(15)13(3,4)11-8-9-14(5,10-11)17-7-2/h11H,6-10H2,1-5H3.
What are the key properties of ethyl 2-(3-ethoxy-3-methylcyclopentyl)-2-methylpropanoate?
ethyl 2-(3-ethoxy-3-methylcyclopentyl)-2-methylpropanoate has a molecular weight of 242.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethoxy-3-methylcyclopentyl)-2-methylpropanoate is sourced from PubChem (CID 58645261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).