(2Z,8Z)-Matricaria Acid Methyl Ester
Basic information
- CAS
928-36-9- Standard SMILES
C/C=C\C#CC#C/C=C\C(=O)OC- InChIKey
GXPDZHWFJLUFGY-RTAKVZRXSA-N- Molecular formula
- C11H10O2
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.06807956
Overview
methyl (2Z,8Z)-deca-2,8-dien-4,6-diynoate has been reported in Baccharis subdentata, Solidago decurrens, and other organisms with data available.
Names & identifiers
- Preferred name
- (2Z,8Z)-Matricaria Acid Methyl Ester
- IUPAC
- methyl (2Z,8Z)-deca-2,8-dien-4,6-diynoate
Names & synonyms
methyl (2Z,8Z)-deca-2,8-dien-4,6-diynoate(2Z,8Z)-MATRICARIA ACID METHYL ESTERRefChem:905918928-36-92,8-Decadiene-4,6-diynoic acid, methyl ester, (Z,Z)-(Z,Z)-Matricaria esterCHEMBL2229362SCHEMBL13751306GXPDZHWFJLUFGY-RTAKVZRXSA-NDTXSID101376552Methyl(2Z,8Z)-decadien-4,6-diynoateMethyl (2Z,8Z)deca-2,8-dien-4,6-diynoate
Database identifiers
- CAS
928-36-9- PubChem CID
- 5319306
- DTXSID
DTXSID101376552- ChEMBL
CHEMBL2229362- Nikkaji
- J14.351K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 347
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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