Butylacetate

Compound Structure:

Synonyms:

Hexanoate;Caproate;butylacetate;hexoate;n-hexanoate;Hexanoate anion;151-33-7;Hexanoic acid, ion(1-);Capronate;hexylate;pentylformate;n-caproate;n-hexoate;n-hexylate;1-hexanoate;1-pentanecarboxylate;a hexonic acid;pentanecarboxylate;1-pentacarboxylate

Compound ID:

NMPC-701

PubChem ID:

4398339

Molecular Formula:

C6H11O2-

Canonical SMILES:

CCCCCC(=O)[O-]

InChIKey:

FUZZWVXGSFPDMH-UHFFFAOYSA-M

About the compound:

Hexanoate is a short-chain fatty acid anion that is the conjugate base of hexanoic acid (also known as caproic acid). It has a role as a human metabolite and a plant metabolite. It is a short-chain fatty acid anion, a straight-chain saturated fatty acid anion and a fatty acid anion 6:0. It is a conjugate base of a hexanoic acid.

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	115.15 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	115.075904589 g/mol
Monoisotopic Mass	115.075904589 g/mol
Topological Polar Surface Area	40.1Å²
Heavy Atom Count	8
Formal Charge	-1
Complexity	63.4
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Palisota hirsuta

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