2-(2-hexyldecanoyloxy)acetic acid

C18H34O4 — CID 11659661

IUPAC2-(2-hexyldecanoyloxy)acetic acid
SMILESCCCCCCCCC(CCCCCC)C(=O)OCC(=O)O
InChIInChI=1S/C18H34O4/c1-3-5-7-9-10-12-14-16(13-11-8-6-4-2)18(21)22-15-17(19)20/h16H,3-15H2,1-2H3,(H,19,20)
InChIKeyXRSAEYSSUKXDIF-UHFFFAOYSA-N
MW314.47 g/mol
LogP4.95
Rot. Bonds15

About 2-(2-hexyldecanoyloxy)acetic acid

2-(2-hexyldecanoyloxy)acetic acid (PubChem CID 11659661) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-(2-hexyldecanoyloxy)acetic acid.

Molecular Properties

Compound Name2-(2-hexyldecanoyloxy)acetic acid
PubChem CID11659661
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Name2-(2-hexyldecanoyloxy)acetic acid
SMILESCCCCCCCCC(CCCCCC)C(=O)OCC(=O)O
InChIInChI=1S/C18H34O4/c1-3-5-7-9-10-12-14-16(13-11-8-6-4-2)18(21)22-15-17(19)20/h16H,3-15H2,1-2H3,(H,19,20)
InChIKeyXRSAEYSSUKXDIF-UHFFFAOYSA-N
XLogP4.95
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.95
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-(2-butyloctanoyloxy)acetic acid
CID 11601324
2-(2-ethyloctanoyloxy)acetic acid
CID 87270647
ethyl 2-dodecyltetradecanoate
CID 125289764
ethyl 2-hexyloctanoate
CID 18373010
hexadecyl 2-hexylicosanoate
CID 87088758
decyl 2-octyltetradecanoate
CID 87368194
decyl 2-hexylpentadecanoate
CID 175318740
tridecyl 2-hexadecylicosanoate
CID 159510432
undecyl 2-heptyltridecanoate
CID 174740301
undecyl 2-heptyldodecanoate
CID 174658610
decyl 2-hexyltetradecanoate
CID 57466026
11-octoxycarbonylheptadecanoic acid
CID 22496673

Frequently Asked Questions

What is the IUPAC name of 2-(2-hexyldecanoyloxy)acetic acid?
The IUPAC name of 2-(2-hexyldecanoyloxy)acetic acid (CID 11659661) is 2-(2-hexyldecanoyloxy)acetic acid.
What is the SMILES notation for 2-(2-hexyldecanoyloxy)acetic acid?
The canonical SMILES for 2-(2-hexyldecanoyloxy)acetic acid is CCCCCCCCC(CCCCCC)C(=O)OCC(=O)O.
What is the InChIKey of 2-(2-hexyldecanoyloxy)acetic acid?
The InChIKey is XRSAEYSSUKXDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4/c1-3-5-7-9-10-12-14-16(13-11-8-6-4-2)18(21)22-15-17(19)20/h16H,3-15H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-hexyldecanoyloxy)acetic acid?
2-(2-hexyldecanoyloxy)acetic acid has a molecular weight of 314.47 g/mol, XLogP of 4.95, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hexyldecanoyloxy)acetic acid is sourced from PubChem (CID 11659661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).