Ethyl 13-cyclopent-2-en-1-yltridecanoate
Basic information
- CAS
623-32-5- Standard SMILES
CCOC(=O)CCCCCCCCCCCCC1C=CCC1- InChIKey
FDGHZUQYDACRTA-UHFFFAOYSA-N- Molecular formula
- C20H36O2
- Average molar mass
- 308.5 g/mol
- Monoisotopic mass
- 308.27153039
Names & identifiers
- Preferred name
- Ethyl 13-cyclopent-2-en-1-yltridecanoate
- IUPAC
- ethyl 13-cyclopent-2-en-1-yltridecanoate
- English name
- 1-Phenyl-1-propyne
- Molecular formula
- C20H36O2
- Molecular weight
- 308.5
Names & synonyms
ethyl 13-cyclopent-2-en-1-yltridecanoateNSC38010Spectrum_001411Spectrum2_000511Spectrum3_001357Spectrum4_000118Spectrum5_000724BSPBio_003173KBioGR_000476KBioSS_001891SPECTRUM310017DivK1c_000627
Show more names
Chaulmestrol1-PHENYLPROPYNE-11-Phenyl-1-propyneMETHYL PHENYL ACETYLENE1-METHYL-2-PHENYLACETYLENE1-PHENYL-1-PROPYNE USP/EP/BPethyl2-cyclopentene-1-tridecanoateethyl 13-(cyclopent-2-enyl)tridecanoateethylester,(s)-2-cyclopentene-1-tridecanoicaci2-Cyclopentene-1-tridecanoic acid, ethyl ester
SPBio_000461CHEMBL1329881HMS501P09KBio1_000627KBio2_001891KBio2_004459KBio2_007027KBio3_002393
Database identifiers
- CAS
623-32-5- PubChem CID
- 2700
- ChEMBL
CHEMBL1329881
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Boiling point
- 185 °C · 185 °C(lit.)
- alpha
- 25 · D25 +44.5° (chloroform)
- Density
- 0.928 g/mL · 0.928 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.564(lit.)
- Flash point
- 144 °F · 144 °F
- storage temp.
- 0 · 0-6°C
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 1 VQA2GCK · GE1VQA2GCK
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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