2-(2-hydroxyoctanoyloxy)decanoic acid

C18H34O5 — CID 57111735

IUPAC2-(2-hydroxyoctanoyloxy)decanoic acid
SMILESCCCCCCCCC(OC(=O)C(O)CCCCCC)C(=O)O
InChIInChI=1S/C18H34O5/c1-3-5-7-9-10-12-14-16(17(20)21)23-18(22)15(19)13-11-8-6-4-2/h15-16,19H,3-14H2,1-2H3,(H,20,21)
InChIKeyYJUSKUXFKPTLEG-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.06
Rot. Bonds15

About 2-(2-hydroxyoctanoyloxy)decanoic acid

2-(2-hydroxyoctanoyloxy)decanoic acid (PubChem CID 57111735) has the molecular formula C18H34O5 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-(2-hydroxyoctanoyloxy)decanoic acid.

Molecular Properties

Compound Name2-(2-hydroxyoctanoyloxy)decanoic acid
PubChem CID57111735
Molecular FormulaC18H34O5
Molecular Weight330.47 g/mol
Exact Mass330.24
IUPAC Name2-(2-hydroxyoctanoyloxy)decanoic acid
SMILESCCCCCCCCC(OC(=O)C(O)CCCCCC)C(=O)O
InChIInChI=1S/C18H34O5/c1-3-5-7-9-10-12-14-16(17(20)21)23-18(22)15(19)13-11-8-6-4-2/h15-16,19H,3-14H2,1-2H3,(H,20,21)
InChIKeyYJUSKUXFKPTLEG-UHFFFAOYSA-N
XLogP4.06
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyhexadecanoyloxy)hexadecanoic acid
CID 54201364
2-(2-hydroxyhexanoyloxy)pentanoic acid
CID 18760379
2-acetyloxyhexadecanoic acid
CID 15599534
(2S)-2-acetyloxydodecanoic acid
CID 90302969
2-hydroxyoctadecanoic acid;octan-3-yl 2-hydroxyoctadecanoate
CID 158065862
ethyl (2S)-2-hydroxytetracosanoate
CID 98049873
2-hexadecanoyloxypentadecanoic acid
CID 133048852
2-pentadecanoyloxytetradecanoic acid
CID 133048599
2-octadecanoyloxytetracosanoic acid
CID 133049381
2-docosanoyloxytetradecanoic acid
CID 133050681
2-heptadecanoyloxytetradecanoic acid
CID 133049056
2-tetradecanoyloxytetradecanoic acid
CID 10503916

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyoctanoyloxy)decanoic acid?
The IUPAC name of 2-(2-hydroxyoctanoyloxy)decanoic acid (CID 57111735) is 2-(2-hydroxyoctanoyloxy)decanoic acid.
What is the SMILES notation for 2-(2-hydroxyoctanoyloxy)decanoic acid?
The canonical SMILES for 2-(2-hydroxyoctanoyloxy)decanoic acid is CCCCCCCCC(OC(=O)C(O)CCCCCC)C(=O)O.
What is the InChIKey of 2-(2-hydroxyoctanoyloxy)decanoic acid?
The InChIKey is YJUSKUXFKPTLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O5/c1-3-5-7-9-10-12-14-16(17(20)21)23-18(22)15(19)13-11-8-6-4-2/h15-16,19H,3-14H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-hydroxyoctanoyloxy)decanoic acid?
2-(2-hydroxyoctanoyloxy)decanoic acid has a molecular weight of 330.47 g/mol, XLogP of 4.06, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyoctanoyloxy)decanoic acid is sourced from PubChem (CID 57111735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).