Methyl-(E)-9- dodecenonate

Compound Structure:

Synonyms:

Methyl (E)-dodec-9-enoate; 9-Dodecenoic acid, methyl ester; METHYL DODEC-9-ENOATE; 9-Dodecenoic acid, methyl ester, (E)-; Methyl trans-dodec-9-enoate; Methyl (9E)-9-dodecenoate; METHYL-TRANS-9-DODECENOATE.

Compound ID:

NMPC-1257

PubChem ID:

5362755

Molecular Formula:

C13H24O2

Canonical SMILES:

CCC=CCCCCCCCC(=O)OC

InChIKey:

DUWQEMMRMJGHSA-SNAWJCMRSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	212.33 g/mol
XLogP3-AA	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	10
Exact Mass	212.177630004 g/mol
Monoisotopic Mass	212.177630004 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	173
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Synepalum dulcificum

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