[2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl] octadecanoate

C24H46O6 — CID 3793749

IUPAC[2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl] octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O
InChIInChI=1S/C24H46O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h20-21,23-26,28H,2-19H2,1H3
InChIKeyHVUMOYIDDBPOLL-UHFFFAOYSA-N
MW430.63 g/mol
LogP4.27
Rot. Bonds19

About [2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl] octadecanoate

[2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl] octadecanoate (PubChem CID 3793749) has the molecular formula C24H46O6 and a molecular weight of 430.63 g/mol. Its IUPAC name is [2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl] octadecanoate.

Molecular Properties

Compound Name[2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl] octadecanoate
PubChem CID3793749
Molecular FormulaC24H46O6
Molecular Weight430.63 g/mol
Exact Mass430.33
IUPAC Name[2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl] octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O
InChIInChI=1S/C24H46O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h20-21,23-26,28H,2-19H2,1H3
InChIKeyHVUMOYIDDBPOLL-UHFFFAOYSA-N
XLogP4.27
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.63
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl] octadecanoate?
The IUPAC name of [2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl] octadecanoate (CID 3793749) is [2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl] octadecanoate.
What is the SMILES notation for [2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl] octadecanoate?
The canonical SMILES for [2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl] octadecanoate is CCCCCCCCCCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O.
What is the InChIKey of [2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl] octadecanoate?
The InChIKey is HVUMOYIDDBPOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h20-21,23-26,28H,2-19H2,1H3.
What are the key properties of [2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl] octadecanoate?
[2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl] octadecanoate has a molecular weight of 430.63 g/mol, XLogP of 4.27, 19 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl] octadecanoate is sourced from PubChem (CID 3793749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).