Butyl 9-tetradecenoate

Butyl 9-tetradecenoate
Compound Structure:
Synonyms: Butyl 9-tetradecenoate;SCHEMBL2396298
Compound ID: NMPC-698
PubChem ID:

87382688
Molecular Formula: C18H34O2
Canonical SMILES: CCCCC=CCCCCCCCC(=O)OCCCC
InChIKey: LFMBHXDRHWERDI-HJWRWDBZSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

282.5 g/mol

XLogP3-AA

6.7

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

15

Exact Mass

282.255880323 g/mol

Monoisotopic Mass

282.255880323 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

20

Formal Charge

0

Complexity

234

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: Plumbago zeylanica
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