2-hydroxypropanoyl octanoate

C11H20O4 — CID 18362559

IUPAC2-hydroxypropanoyl octanoate
SMILESCCCCCCCC(=O)OC(=O)C(C)O
InChIInChI=1S/C11H20O4/c1-3-4-5-6-7-8-10(13)15-11(14)9(2)12/h9,12H,3-8H2,1-2H3
InChIKeySPRJWMSXOLZOIO-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.80
Rot. Bonds7

About 2-hydroxypropanoyl octanoate

2-hydroxypropanoyl octanoate (PubChem CID 18362559) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-hydroxypropanoyl octanoate.

Molecular Properties

Compound Name2-hydroxypropanoyl octanoate
PubChem CID18362559
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-hydroxypropanoyl octanoate
SMILESCCCCCCCC(=O)OC(=O)C(C)O
InChIInChI=1S/C11H20O4/c1-3-4-5-6-7-8-10(13)15-11(14)9(2)12/h9,12H,3-8H2,1-2H3
InChIKeySPRJWMSXOLZOIO-UHFFFAOYSA-N
XLogP1.80
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoyl octanoate?
The IUPAC name of 2-hydroxypropanoyl octanoate (CID 18362559) is 2-hydroxypropanoyl octanoate.
What is the SMILES notation for 2-hydroxypropanoyl octanoate?
The canonical SMILES for 2-hydroxypropanoyl octanoate is CCCCCCCC(=O)OC(=O)C(C)O.
What is the InChIKey of 2-hydroxypropanoyl octanoate?
The InChIKey is SPRJWMSXOLZOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-3-4-5-6-7-8-10(13)15-11(14)9(2)12/h9,12H,3-8H2,1-2H3.
What are the key properties of 2-hydroxypropanoyl octanoate?
2-hydroxypropanoyl octanoate has a molecular weight of 216.28 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoyl octanoate is sourced from PubChem (CID 18362559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).