2-hydroxynonyl octanoate

C17H34O3 — CID 141214570

IUPAC2-hydroxynonyl octanoate
SMILESCCCCCCCC(=O)OCC(O)CCCCCCC
InChIInChI=1S/C17H34O3/c1-3-5-7-9-11-13-16(18)15-20-17(19)14-12-10-8-6-4-2/h16,18H,3-15H2,1-2H3
InChIKeyFXWGYPHYWVQSDX-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.61
Rot. Bonds14

About 2-hydroxynonyl octanoate

2-hydroxynonyl octanoate (PubChem CID 141214570) has the molecular formula C17H34O3 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-hydroxynonyl octanoate.

Molecular Properties

Compound Name2-hydroxynonyl octanoate
PubChem CID141214570
Molecular FormulaC17H34O3
Molecular Weight286.46 g/mol
Exact Mass286.25
IUPAC Name2-hydroxynonyl octanoate
SMILESCCCCCCCC(=O)OCC(O)CCCCCCC
InChIInChI=1S/C17H34O3/c1-3-5-7-9-11-13-16(18)15-20-17(19)14-12-10-8-6-4-2/h16,18H,3-15H2,1-2H3
InChIKeyFXWGYPHYWVQSDX-UHFFFAOYSA-N
XLogP4.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxydodecyl hexadecanoate
CID 150178646
[(2R)-2-hydroxytriacontyl] (12S)-12-hydroxyoctadecanoate
CID 99712599
2-hydroxyhexyl icosanoate
CID 178043502
2-hydroxypentyl hexadecanoate
CID 178043487
2-hydroxypentyl heptanoate
CID 19808030
[(2R)-2-hydroxy-3-nonadecanoyloxypropyl] henicosanoate
CID 131800392
[(2S)-3-decanoyloxy-2-hydroxypropyl] nonadecanoate
CID 131799324
[(2R)-2-hydroxy-3-octanoyloxypropyl] pentadecanoate
CID 131799748
[(2S)-2-hydroxy-3-pentadecanoyloxypropyl] icosanoate
CID 131802658
(3-heptadecanoyloxy-2-hydroxypropyl) octadecanoate
CID 178202109
(3-heptadecanoyloxy-2-hydroxypropyl) heptadecanoate
CID 19753453
[(2R)-3-hexadecanoyloxy-2-hydroxypropyl] heptadecanoate
CID 131800092

Frequently Asked Questions

What is the IUPAC name of 2-hydroxynonyl octanoate?
The IUPAC name of 2-hydroxynonyl octanoate (CID 141214570) is 2-hydroxynonyl octanoate.
What is the SMILES notation for 2-hydroxynonyl octanoate?
The canonical SMILES for 2-hydroxynonyl octanoate is CCCCCCCC(=O)OCC(O)CCCCCCC.
What is the InChIKey of 2-hydroxynonyl octanoate?
The InChIKey is FXWGYPHYWVQSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3/c1-3-5-7-9-11-13-16(18)15-20-17(19)14-12-10-8-6-4-2/h16,18H,3-15H2,1-2H3.
What are the key properties of 2-hydroxynonyl octanoate?
2-hydroxynonyl octanoate has a molecular weight of 286.46 g/mol, XLogP of 4.61, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxynonyl octanoate is sourced from PubChem (CID 141214570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).