Decyldecanoate

Compound Structure:

Synonyms:

1-Decyl decanoate; Capryl caprate; Decanoic acid decyl ester; Decyl caprate; n-Capric acid n-decyl ester; trans-3-Benzyloxycyclobutanecarboxylic

Compound ID:

NMPC-955

PubChem ID:

Molecular Formula:

C20H40O2

Canonical SMILES:

CCCCCCCCCCOC(=O)CCCCCCCCC

InChIKey:

XAKXZZPEUKNHMA-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	312.5 g/mol
XLogP3-AA	8.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	18
Exact Mass	312.302830514 g/mol
Monoisotopic Mass	312.302830514 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	226
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:

Synepalum dulcificum

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