Butyl hept-2-ynoate

HCID 303087
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Basic information

CAS
41519-03-3
Standard SMILES
CCCCC#CC(=O)OCCCC
InChIKey
AUMDAJWLOGHKFJ-UHFFFAOYSA-N
Molecular formula
C11H18O2
Average molar mass
182.26 g/mol
Monoisotopic mass
182.13067982

Names & identifiers

Preferred name
Butyl hept-2-ynoate
IUPAC
butyl hept-2-ynoate

Names & synonyms

butyl hept-2-ynoate41519-03-3DTXSID70307391RefChem:331047DTXCID90258518NSC190968n-butyl 2-heptynoateSCHEMBL8163468AUMDAJWLOGHKFJ-UHFFFAOYSA-NNSC-190968

Database identifiers

CAS
41519-03-3
PubChem CID
303087
DTXSID
DTXSID70307391

Properties

Computed structural propertiesFilling in

XLogP
3.9
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
13

Related reactions

1 records
New reaction record

Compound notes

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