ethyl 2-ethoxy-4-ethyl-5-methylcyclopenta-1,3-diene-1-carboxylate

C13H20O3 — CID 15749218

IUPACethyl 2-ethoxy-4-ethyl-5-methylcyclopenta-1,3-diene-1-carboxylate
SMILESCCOC(=O)C1=C(OCC)C=C(CC)C1C
InChIInChI=1S/C13H20O3/c1-5-10-8-11(15-6-2)12(9(10)4)13(14)16-7-3/h8-9H,5-7H2,1-4H3
InChIKeyQGJBLQPGTZWNSP-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.83
Rot. Bonds5

About ethyl 2-ethoxy-4-ethyl-5-methylcyclopenta-1,3-diene-1-carboxylate

ethyl 2-ethoxy-4-ethyl-5-methylcyclopenta-1,3-diene-1-carboxylate (PubChem CID 15749218) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is ethyl 2-ethoxy-4-ethyl-5-methylcyclopenta-1,3-diene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethoxy-4-ethyl-5-methylcyclopenta-1,3-diene-1-carboxylate
PubChem CID15749218
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Nameethyl 2-ethoxy-4-ethyl-5-methylcyclopenta-1,3-diene-1-carboxylate
SMILESCCOC(=O)C1=C(OCC)C=C(CC)C1C
InChIInChI=1S/C13H20O3/c1-5-10-8-11(15-6-2)12(9(10)4)13(14)16-7-3/h8-9H,5-7H2,1-4H3
InChIKeyQGJBLQPGTZWNSP-UHFFFAOYSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Aristolactone
CID 13821316
1,3-Cyclohexadiene-1-carboxylic acid, 4,6,6-trimethyl-, ethyl ester
CID 68524240
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CID 155559006
6-Ethyl-3-(2-methylpropyl)-2H-pyran-2-one
CID 167669
4-Methoxy-3-methyl-6-(4-methylpentyl)pyran-2-one
CID 146684006
Spongosoritin A
CID 11522149
6-Heptan-3-yl-4-methylpyran-2-one
CID 21520156
(5S,S)-5-methyl-3-(3-methylpentyl)furan-2(5H)-one
CID 16090236
Nocapyrone H
CID 71604594
CID 146684008
CID 146684008
3-Butyl-5-methylidenefuran-2-one
CID 12914774
methyl (2Z)-2-[(5R)-3,5-diethyl-5-[(2S)-2-ethyl-5-oxohexyl]furan-2-ylidene]acetate
CID 71451880

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-4-ethyl-5-methylcyclopenta-1,3-diene-1-carboxylate?
The IUPAC name of ethyl 2-ethoxy-4-ethyl-5-methylcyclopenta-1,3-diene-1-carboxylate (CID 15749218) is ethyl 2-ethoxy-4-ethyl-5-methylcyclopenta-1,3-diene-1-carboxylate.
What is the SMILES notation for ethyl 2-ethoxy-4-ethyl-5-methylcyclopenta-1,3-diene-1-carboxylate?
The canonical SMILES for ethyl 2-ethoxy-4-ethyl-5-methylcyclopenta-1,3-diene-1-carboxylate is CCOC(=O)C1=C(OCC)C=C(CC)C1C.
What is the InChIKey of ethyl 2-ethoxy-4-ethyl-5-methylcyclopenta-1,3-diene-1-carboxylate?
The InChIKey is QGJBLQPGTZWNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-5-10-8-11(15-6-2)12(9(10)4)13(14)16-7-3/h8-9H,5-7H2,1-4H3.
What are the key properties of ethyl 2-ethoxy-4-ethyl-5-methylcyclopenta-1,3-diene-1-carboxylate?
ethyl 2-ethoxy-4-ethyl-5-methylcyclopenta-1,3-diene-1-carboxylate has a molecular weight of 224.30 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-4-ethyl-5-methylcyclopenta-1,3-diene-1-carboxylate is sourced from PubChem (CID 15749218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).