ethyl 1-[2-(2,4,6-trimethylphenyl)acetyl]oxycyclopentane-1-carboxylate

C19H26O4 — CID 11415891

IUPACethyl 1-[2-(2,4,6-trimethylphenyl)acetyl]oxycyclopentane-1-carboxylate
SMILESCCOC(=O)C1(OC(=O)Cc2c(C)cc(C)cc2C)CCCC1
InChIInChI=1S/C19H26O4/c1-5-22-18(21)19(8-6-7-9-19)23-17(20)12-16-14(3)10-13(2)11-15(16)4/h10-11H,5-9,12H2,1-4H3
InChIKeyLNKZIQLVZGPGJY-UHFFFAOYSA-N
MW318.41 g/mol
LogP3.57
Rot. Bonds5

About ethyl 1-[2-(2,4,6-trimethylphenyl)acetyl]oxycyclopentane-1-carboxylate

ethyl 1-[2-(2,4,6-trimethylphenyl)acetyl]oxycyclopentane-1-carboxylate (PubChem CID 11415891) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol. Its IUPAC name is ethyl 1-[2-(2,4,6-trimethylphenyl)acetyl]oxycyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2,4,6-trimethylphenyl)acetyl]oxycyclopentane-1-carboxylate
PubChem CID11415891
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Nameethyl 1-[2-(2,4,6-trimethylphenyl)acetyl]oxycyclopentane-1-carboxylate
SMILESCCOC(=O)C1(OC(=O)Cc2c(C)cc(C)cc2C)CCCC1
InChIInChI=1S/C19H26O4/c1-5-22-18(21)19(8-6-7-9-19)23-17(20)12-16-14(3)10-13(2)11-15(16)4/h10-11H,5-9,12H2,1-4H3
InChIKeyLNKZIQLVZGPGJY-UHFFFAOYSA-N
XLogP3.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Spiromesifen
CID 9907412
Ethyl mesitylglyoxylate
CID 2736481
Ethyl mesitylacetate
CID 222429
1-O-ethyl 2-O-[2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] oxalate
CID 56851413
2-O-[2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] 1-O-prop-2-ynyl oxalate
CID 56851570
4-Ethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-2-one
CID 76309243
4-Methoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-2-one
CID 76331067
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-[4-(2-methylpropyl)phenyl]propanoate
CID 155560269
ethyl (2R)-4-(3,4-dimethylphenyl)-2-hydroxy-2-(trifluoromethyl)pent-4-enoate
CID 134945937
[2-Oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] 2,2-dimethylpropanoate
CID 11348842
Ethyl 2,2-Difluoro-2-mesitylacetate
CID 125383175
Ethyl 2-acetyloxy-3-phenylpropanoate
CID 15191616

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2,4,6-trimethylphenyl)acetyl]oxycyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-[2-(2,4,6-trimethylphenyl)acetyl]oxycyclopentane-1-carboxylate (CID 11415891) is ethyl 1-[2-(2,4,6-trimethylphenyl)acetyl]oxycyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2,4,6-trimethylphenyl)acetyl]oxycyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-[2-(2,4,6-trimethylphenyl)acetyl]oxycyclopentane-1-carboxylate is CCOC(=O)C1(OC(=O)Cc2c(C)cc(C)cc2C)CCCC1.
What is the InChIKey of ethyl 1-[2-(2,4,6-trimethylphenyl)acetyl]oxycyclopentane-1-carboxylate?
The InChIKey is LNKZIQLVZGPGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O4/c1-5-22-18(21)19(8-6-7-9-19)23-17(20)12-16-14(3)10-13(2)11-15(16)4/h10-11H,5-9,12H2,1-4H3.
What are the key properties of ethyl 1-[2-(2,4,6-trimethylphenyl)acetyl]oxycyclopentane-1-carboxylate?
ethyl 1-[2-(2,4,6-trimethylphenyl)acetyl]oxycyclopentane-1-carboxylate has a molecular weight of 318.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2,4,6-trimethylphenyl)acetyl]oxycyclopentane-1-carboxylate is sourced from PubChem (CID 11415891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).