ethyl cyclopenta-1,3-diene-1-carboxylate

C16H20O4 — CID 175029931

IUPACethyl cyclopenta-1,3-diene-1-carboxylate
SMILESCCOC(=O)C1=CC=CC1.CCOC(=O)C1=CC=CC1
InChIInChI=1S/2C8H10O2/c2*1-2-10-8(9)7-5-3-4-6-7/h2*3-5H,2,6H2,1H3
InChIKeyJHTGMJAMRCRWER-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.87
Rot. Bonds4

About ethyl cyclopenta-1,3-diene-1-carboxylate

ethyl cyclopenta-1,3-diene-1-carboxylate (PubChem CID 175029931) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is ethyl cyclopenta-1,3-diene-1-carboxylate.

Molecular Properties

Compound Nameethyl cyclopenta-1,3-diene-1-carboxylate
PubChem CID175029931
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Nameethyl cyclopenta-1,3-diene-1-carboxylate
SMILESCCOC(=O)C1=CC=CC1.CCOC(=O)C1=CC=CC1
InChIInChI=1S/2C8H10O2/c2*1-2-10-8(9)7-5-3-4-6-7/h2*3-5H,2,6H2,1H3
InChIKeyJHTGMJAMRCRWER-UHFFFAOYSA-N
XLogP2.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl cyclohexa-1,4-diene-1,2-dicarboxylate
CID 13042860
6-[3,6,7,10,11-pentakis[6-(cyclopenta-1,3-diene-1-carbonyloxy)hexoxy]triphenylen-2-yl]oxyhexyl cyclopenta-1,3-diene-1-carboxylate
CID 101033118
diethyl 2H-pyridine-1,3-dicarboxylate
CID 150449718
6-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxyhexyl cyclopenta-1,3-diene-1-carboxylate
CID 101033116
diethyl cyclohepta-2,4,7-triene-1,2-dicarboxylate
CID 66809592
ethyl 5-oxocyclohexene-1-carboxylate
CID 101467436
ethyl 4-methylcyclopenta-1,3-diene-1-carboxylate;(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl cyclopenta-1,3-diene-1-carboxylate
CID 159861698
ethyl (3E)-3-ethylidene-4-oxocyclohepta-1,5-diene-1-carboxylate
CID 15093088
ethyl 3-cyclopenta-1,3-dien-1-yl-4,4-bis(4-hydroxyphenyl)but-3-enoate
CID 118056056
ethyl 5-methyl-2H-pyrrole-3-carboxylate
CID 58158190
ethyl cycloundecene-1-carboxylate
CID 154164177
ethyl 2-methyl-3H-pyrrole-4-carboxylate
CID 159437732

Frequently Asked Questions

What is the IUPAC name of ethyl cyclopenta-1,3-diene-1-carboxylate?
The IUPAC name of ethyl cyclopenta-1,3-diene-1-carboxylate (CID 175029931) is ethyl cyclopenta-1,3-diene-1-carboxylate.
What is the SMILES notation for ethyl cyclopenta-1,3-diene-1-carboxylate?
The canonical SMILES for ethyl cyclopenta-1,3-diene-1-carboxylate is CCOC(=O)C1=CC=CC1.CCOC(=O)C1=CC=CC1.
What is the InChIKey of ethyl cyclopenta-1,3-diene-1-carboxylate?
The InChIKey is JHTGMJAMRCRWER-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10O2/c2*1-2-10-8(9)7-5-3-4-6-7/h2*3-5H,2,6H2,1H3.
What are the key properties of ethyl cyclopenta-1,3-diene-1-carboxylate?
ethyl cyclopenta-1,3-diene-1-carboxylate has a molecular weight of 276.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl cyclopenta-1,3-diene-1-carboxylate is sourced from PubChem (CID 175029931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).