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Ethyl 3-methylcyclopent-3-ene-1-carboxylate

HCID 274458
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
15215-84-6
Standard SMILES
CCOC(=O)C1CC=C(C)C1
InChIKey
DPGZDBYEZILPOW-UHFFFAOYSA-N
Molecular formula
C9H14O2
Average molar mass
154.21 g/mol

Names & identifiers

Preferred name
Ethyl 3-methylcyclopent-3-ene-1-carboxylate
IUPAC
ethyl 3-methylcyclopent-3-ene-1-carboxylate
English name
3-Cyclopentene-1-carboxylic acid, 3-methyl-, ethyl ester (8CI,9CI)
Molecular formula
C9H14O2
Molecular weight
154.21

Names & synonyms

15215-84-6ethyl 3-methylcyclopent-3-ene-1-carboxylateNSC1205083-Cyclopentene-1-carboxylic acid, 3-methyl-, ethyl ester (8CI,9CI)SCHEMBL2158099DPGZDBYEZILPOW-UHFFFAOYSA-NNSC-1205083-Methyl-cyclopent-3-enecarboxylic acid ethyl ester3-Cyclopentene-1-carboxylic acid, 3-methyl-, ethyl ester

Database identifiers

CAS
15215-84-6
PubChem CID
274458

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
11
Formal charge
0
Complexity
182

Physicochemical properties

Boiling point
190.9 · 190.9±9.0 °C(Predicted)
Density
1 · 1.000±0.06 g/cm3(Predicted)

Chemistry & industry

Suppliers1 total

CHEMSTEP[email protected]

Related reactions

7 records
New reaction record
HRID 98281 reaction equation
HRID 98281As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 140359 reaction equation
HRID 140359As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 685257 reaction equation
HRID 685257As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1015646 reaction equation
HRID 1015646As productuspto-grants-2011_07
HRID 1015647 reaction equation
HRID 1015647As reactantuspto-grants-2011_07
HRID 2193930 reaction equation
HRID 2193930As productuspto-grants-2012_12
HRID 2193931 reaction equation
HRID 2193931As reactantuspto-grants-2012_12

Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes