2-hydroxyethyl nonadecanoate;oxolan-3-ol

C25H50O5 — CID 145328595

IUPAC2-hydroxyethyl nonadecanoate;oxolan-3-ol
SMILESCCCCCCCCCCCCCCCCCCC(=O)OCCO.OC1CCOC1
InChIInChI=1S/C21H42O3.C4H8O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-20-19-22;5-4-1-2-6-3-4/h22H,2-20H2,1H3;4-5H,1-3H2
InChIKeyBLGDVHNUTWLJOV-UHFFFAOYSA-N
MW430.67 g/mol
LogP5.94
Rot. Bonds19

About 2-hydroxyethyl nonadecanoate;oxolan-3-ol

2-hydroxyethyl nonadecanoate;oxolan-3-ol (PubChem CID 145328595) has the molecular formula C25H50O5 and a molecular weight of 430.67 g/mol. Its IUPAC name is 2-hydroxyethyl nonadecanoate;oxolan-3-ol.

Molecular Properties

Compound Name2-hydroxyethyl nonadecanoate;oxolan-3-ol
PubChem CID145328595
Molecular FormulaC25H50O5
Molecular Weight430.67 g/mol
Exact Mass430.37
IUPAC Name2-hydroxyethyl nonadecanoate;oxolan-3-ol
SMILESCCCCCCCCCCCCCCCCCCC(=O)OCCO.OC1CCOC1
InChIInChI=1S/C21H42O3.C4H8O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-20-19-22;5-4-1-2-6-3-4/h22H,2-20H2,1H3;4-5H,1-3H2
InChIKeyBLGDVHNUTWLJOV-UHFFFAOYSA-N
XLogP5.94
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.67
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-hydroxyethyl nonadecanoate;oxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethene;2-hydroxyethyl hexadecanoate
CID 87221064
sodium;hydride;2-hydroxyethyl dodecanoate
CID 173434676
butyl hexadecanoate;oxirane
CID 174596591
ethoxyethane;2-hydroxyethyl dodecanoate
CID 87130982
ethoxyethane;2-hydroxyethyl docosanoate
CID 121301688
1-O-butyl 6-O-(2-hydroxyethyl) hexanedioate
CID 87069047
ethane-1,2-diol;propyl octadecanoate
CID 87479973
ethanol;2-octadecanoyloxyethyl octadecanoate
CID 161101673
bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
2-henicosanoyloxyethyl henicosanoate
CID 54483902
bis(2-hydroxyethyl) heptanedioate
CID 58519890
bis(2-hydroxyethyl) decanedioate
CID 14094566

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl nonadecanoate;oxolan-3-ol?
The IUPAC name of 2-hydroxyethyl nonadecanoate;oxolan-3-ol (CID 145328595) is 2-hydroxyethyl nonadecanoate;oxolan-3-ol.
What is the SMILES notation for 2-hydroxyethyl nonadecanoate;oxolan-3-ol?
The canonical SMILES for 2-hydroxyethyl nonadecanoate;oxolan-3-ol is CCCCCCCCCCCCCCCCCCC(=O)OCCO.OC1CCOC1.
What is the InChIKey of 2-hydroxyethyl nonadecanoate;oxolan-3-ol?
The InChIKey is BLGDVHNUTWLJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O3.C4H8O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-20-19-22;5-4-1-2-6-3-4/h22H,2-20H2,1H3;4-5H,1-3H2.
What are the key properties of 2-hydroxyethyl nonadecanoate;oxolan-3-ol?
2-hydroxyethyl nonadecanoate;oxolan-3-ol has a molecular weight of 430.67 g/mol, XLogP of 5.94, 19 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl nonadecanoate;oxolan-3-ol is sourced from PubChem (CID 145328595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).