Glyceryl 1-undecylenate

C14H26O4 — CID 9921382

IUPAC2,3-dihydroxypropyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OCC(CO)O
InChIInChI=1S/C14H26O4/c1-2-3-4-5-6-7-8-9-10-14(17)18-12-13(16)11-15/h2,13,15-16H,1,3-12H2
InChIKeyGJVUMEONPPTZEY-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.10
Rot. Bonds13

About Glyceryl 1-undecylenate

Glyceryl 1-undecylenate (PubChem CID 9921382) has the molecular formula C14H26O4 and a molecular weight of 258.35 g/mol. Its IUPAC name is 2,3-dihydroxypropyl undec-10-enoate.

Molecular Properties

Compound NameGlyceryl 1-undecylenate
PubChem CID9921382
Molecular FormulaC14H26O4
Molecular Weight258.35 g/mol
Exact Mass258.18
IUPAC Name2,3-dihydroxypropyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OCC(CO)O
InChIInChI=1S/C14H26O4/c1-2-3-4-5-6-7-8-9-10-14(17)18-12-13(16)11-15/h2,13,15-16H,1,3-12H2
InChIKeyGJVUMEONPPTZEY-UHFFFAOYSA-N
XLogP3.10
TPSA66.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity216

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Glyceryl 1-undecylenate?
The IUPAC name of Glyceryl 1-undecylenate (CID 9921382) is 2,3-dihydroxypropyl undec-10-enoate.
What is the SMILES notation for Glyceryl 1-undecylenate?
The canonical SMILES for Glyceryl 1-undecylenate is C=CCCCCCCCCC(=O)OCC(CO)O.
What is the InChIKey of Glyceryl 1-undecylenate?
The InChIKey is GJVUMEONPPTZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-2-3-4-5-6-7-8-9-10-14(17)18-12-13(16)11-15/h2,13,15-16H,1,3-12H2.
What are the key properties of Glyceryl 1-undecylenate?
Glyceryl 1-undecylenate has a molecular weight of 258.35 g/mol, XLogP of 3.10, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Glyceryl 1-undecylenate is sourced from PubChem (CID 9921382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).