4-hydroxybutyl 9-ethoxy-10-hydroxyoctadecanoate;yttrium

C24H48O5Y — CID 140603563

IUPAC4-hydroxybutyl 9-ethoxy-10-hydroxyoctadecanoate;yttrium
SMILESCCCCCCCCC(O)C(CCCCCCCC(=O)OCCCCO)OCC.[Y]
InChIInChI=1S/C24H48O5.Y/c1-3-5-6-7-9-12-17-22(26)23(28-4-2)18-13-10-8-11-14-19-24(27)29-21-16-15-20-25;/h22-23,25-26H,3-21H2,1-2H3;
InChIKeyBBSZQEDOZNXBGN-UHFFFAOYSA-N
MW505.55 g/mol
LogP5.55
Rot. Bonds22

About 4-hydroxybutyl 9-ethoxy-10-hydroxyoctadecanoate;yttrium

4-hydroxybutyl 9-ethoxy-10-hydroxyoctadecanoate;yttrium (PubChem CID 140603563) has the molecular formula C24H48O5Y and a molecular weight of 505.55 g/mol. Its IUPAC name is 4-hydroxybutyl 9-ethoxy-10-hydroxyoctadecanoate;yttrium.

Molecular Properties

Compound Name4-hydroxybutyl 9-ethoxy-10-hydroxyoctadecanoate;yttrium
PubChem CID140603563
Molecular FormulaC24H48O5Y
Molecular Weight505.55 g/mol
Exact Mass505.26
IUPAC Name4-hydroxybutyl 9-ethoxy-10-hydroxyoctadecanoate;yttrium
SMILESCCCCCCCCC(O)C(CCCCCCCC(=O)OCCCCO)OCC.[Y]
InChIInChI=1S/C24H48O5.Y/c1-3-5-6-7-9-12-17-22(26)23(28-4-2)18-13-10-8-11-14-19-24(27)29-21-16-15-20-25;/h22-23,25-26H,3-21H2,1-2H3;
InChIKeyBBSZQEDOZNXBGN-UHFFFAOYSA-N
XLogP5.55
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.55
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxypropyl 9-hydroxy-10-(3-hydroxypropoxy)octadecanoate
CID 87106037
butyl 7-butoxy-8-hydroxyoctadecanoate
CID 18172628
ethyl 10-hydroxy-9-(2-hydroxyethoxy)octadecanoate
CID 166582102
methyl 10-hydroxy-9-(4-hydroxybutoxy)octadecanoate
CID 166581998
12-hydroxydodecyl dodecanoate
CID 23320424
31-hydroxyhentriacontyl dodecanoate
CID 166097629
6-hydroxyhexyl octanoate
CID 23036666
9-hydroxynonyl nonanoate
CID 171474972
16-hydroxyhexadecyl dodecanoate
CID 166098146
34-hydroxytetratriacontyl dodecanoate
CID 166097619
12-hydroxydodecyl icosanoate
CID 170849788
butyl 10-(2-ethylhexoxy)-9-hydroxyoctadecanoate
CID 102042364

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybutyl 9-ethoxy-10-hydroxyoctadecanoate;yttrium?
The IUPAC name of 4-hydroxybutyl 9-ethoxy-10-hydroxyoctadecanoate;yttrium (CID 140603563) is 4-hydroxybutyl 9-ethoxy-10-hydroxyoctadecanoate;yttrium.
What is the SMILES notation for 4-hydroxybutyl 9-ethoxy-10-hydroxyoctadecanoate;yttrium?
The canonical SMILES for 4-hydroxybutyl 9-ethoxy-10-hydroxyoctadecanoate;yttrium is CCCCCCCCC(O)C(CCCCCCCC(=O)OCCCCO)OCC.[Y].
What is the InChIKey of 4-hydroxybutyl 9-ethoxy-10-hydroxyoctadecanoate;yttrium?
The InChIKey is BBSZQEDOZNXBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O5.Y/c1-3-5-6-7-9-12-17-22(26)23(28-4-2)18-13-10-8-11-14-19-24(27)29-21-16-15-20-25;/h22-23,25-26H,3-21H2,1-2H3;.
What are the key properties of 4-hydroxybutyl 9-ethoxy-10-hydroxyoctadecanoate;yttrium?
4-hydroxybutyl 9-ethoxy-10-hydroxyoctadecanoate;yttrium has a molecular weight of 505.55 g/mol, XLogP of 5.55, 22 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybutyl 9-ethoxy-10-hydroxyoctadecanoate;yttrium is sourced from PubChem (CID 140603563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).