ethyl 10-hydroxy-9-(2-hydroxyethoxy)octadecanoate

C22H44O5 — CID 166582102

IUPACethyl 10-hydroxy-9-(2-hydroxyethoxy)octadecanoate
SMILESCCCCCCCCC(O)C(CCCCCCCC(=O)OCC)OCCO
InChIInChI=1S/C22H44O5/c1-3-5-6-7-9-12-15-20(24)21(27-19-18-23)16-13-10-8-11-14-17-22(25)26-4-2/h20-21,23-24H,3-19H2,1-2H3
InChIKeyHMFZBGLICPPBCX-UHFFFAOYSA-N
MW388.59 g/mol
LogP4.77
Rot. Bonds20

About ethyl 10-hydroxy-9-(2-hydroxyethoxy)octadecanoate

ethyl 10-hydroxy-9-(2-hydroxyethoxy)octadecanoate (PubChem CID 166582102) has the molecular formula C22H44O5 and a molecular weight of 388.59 g/mol. Its IUPAC name is ethyl 10-hydroxy-9-(2-hydroxyethoxy)octadecanoate.

Molecular Properties

Compound Nameethyl 10-hydroxy-9-(2-hydroxyethoxy)octadecanoate
PubChem CID166582102
Molecular FormulaC22H44O5
Molecular Weight388.59 g/mol
Exact Mass388.32
IUPAC Nameethyl 10-hydroxy-9-(2-hydroxyethoxy)octadecanoate
SMILESCCCCCCCCC(O)C(CCCCCCCC(=O)OCC)OCCO
InChIInChI=1S/C22H44O5/c1-3-5-6-7-9-12-15-20(24)21(27-19-18-23)16-13-10-8-11-14-17-22(25)26-4-2/h20-21,23-24H,3-19H2,1-2H3
InChIKeyHMFZBGLICPPBCX-UHFFFAOYSA-N
XLogP4.77
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.59
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 10-hydroxy-9-(2-hydroxyethoxy)octadecanoate 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

3-hydroxypropyl 9-hydroxy-10-(3-hydroxypropoxy)octadecanoate
CID 87106037
butyl 7-butoxy-8-hydroxyoctadecanoate
CID 18172628
4-hydroxybutyl 9-ethoxy-10-hydroxyoctadecanoate;yttrium
CID 140603563
methyl 10-hydroxy-9-(4-hydroxybutoxy)octadecanoate
CID 166581998
9-(1-ethoxy-10-hydroxy-1-oxooctadecan-9-yl)oxy-9-oxononanoic acid
CID 166582249
2-hydroxyethyl 9,12-dihydroxy-10,13-dimethoxyoctadecanoate
CID 121278723
ethyl hexanoate;icosan-9-ol
CID 170307384
ethyl 9-hydroxyhexadecanoate
CID 129223650
10-decoxy-9-hydroxyoctadecanoic acid
CID 150670526
15-hydroxyoctacosan-14-yl docosanoate
CID 150070052
butyl 10-(2-ethylhexoxy)-9-hydroxyoctadecanoate
CID 102042364
ethyl 6-pentylpentadecanoate
CID 86165388

Frequently Asked Questions

What is the IUPAC name of ethyl 10-hydroxy-9-(2-hydroxyethoxy)octadecanoate?
The IUPAC name of ethyl 10-hydroxy-9-(2-hydroxyethoxy)octadecanoate (CID 166582102) is ethyl 10-hydroxy-9-(2-hydroxyethoxy)octadecanoate.
What is the SMILES notation for ethyl 10-hydroxy-9-(2-hydroxyethoxy)octadecanoate?
The canonical SMILES for ethyl 10-hydroxy-9-(2-hydroxyethoxy)octadecanoate is CCCCCCCCC(O)C(CCCCCCCC(=O)OCC)OCCO.
What is the InChIKey of ethyl 10-hydroxy-9-(2-hydroxyethoxy)octadecanoate?
The InChIKey is HMFZBGLICPPBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O5/c1-3-5-6-7-9-12-15-20(24)21(27-19-18-23)16-13-10-8-11-14-17-22(25)26-4-2/h20-21,23-24H,3-19H2,1-2H3.
What are the key properties of ethyl 10-hydroxy-9-(2-hydroxyethoxy)octadecanoate?
ethyl 10-hydroxy-9-(2-hydroxyethoxy)octadecanoate has a molecular weight of 388.59 g/mol, XLogP of 4.77, 20 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-hydroxy-9-(2-hydroxyethoxy)octadecanoate is sourced from PubChem (CID 166582102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).