dodecanoyl 3-hydroxytetradecanoate

C26H50O4 — CID 175532519

IUPACdodecanoyl 3-hydroxytetradecanoate
SMILESCCCCCCCCCCCC(=O)OC(=O)CC(O)CCCCCCCCCCC
InChIInChI=1S/C26H50O4/c1-3-5-7-9-11-13-15-17-19-21-24(27)23-26(29)30-25(28)22-20-18-16-14-12-10-8-6-4-2/h24,27H,3-23H2,1-2H3
InChIKeyYZDDADAOJSBONM-UHFFFAOYSA-N
MW426.68 g/mol
LogP7.65
Rot. Bonds22

About dodecanoyl 3-hydroxytetradecanoate

dodecanoyl 3-hydroxytetradecanoate (PubChem CID 175532519) has the molecular formula C26H50O4 and a molecular weight of 426.68 g/mol. Its IUPAC name is dodecanoyl 3-hydroxytetradecanoate.

Molecular Properties

Compound Namedodecanoyl 3-hydroxytetradecanoate
PubChem CID175532519
Molecular FormulaC26H50O4
Molecular Weight426.68 g/mol
Exact Mass426.37
IUPAC Namedodecanoyl 3-hydroxytetradecanoate
SMILESCCCCCCCCCCCC(=O)OC(=O)CC(O)CCCCCCCCCCC
InChIInChI=1S/C26H50O4/c1-3-5-7-9-11-13-15-17-19-21-24(27)23-26(29)30-25(28)22-20-18-16-14-12-10-8-6-4-2/h24,27H,3-23H2,1-2H3
InChIKeyYZDDADAOJSBONM-UHFFFAOYSA-N
XLogP7.65
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.68
LogP ≤ 57.65
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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Related Compounds

decanoyl 7-hydroxyoctacosanoate
CID 91199944
hexadecanoyl 9-hydroxyheptadecanoate
CID 150036681
10-hydroxyhexadecanoyl 12-hydroxydocosanoate
CID 174632216
dodecanoyl 12-hydroxyoctadecanoate
CID 88699901
[(Z)-octadec-11-enoyl] 12-hydroxyoctadecanoate
CID 174817373
octadecanoyl 18-octyltriacontanoate
CID 87077721
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
henicosanoyl docosanoate
CID 175302110
ditetradecanoyl hexanedioate
CID 175560209
pentadecanoyl hexadecanoate
CID 87499774
dioctadecanoyl 2-hydroxybutanedioate
CID 57481136

Frequently Asked Questions

What is the IUPAC name of dodecanoyl 3-hydroxytetradecanoate?
The IUPAC name of dodecanoyl 3-hydroxytetradecanoate (CID 175532519) is dodecanoyl 3-hydroxytetradecanoate.
What is the SMILES notation for dodecanoyl 3-hydroxytetradecanoate?
The canonical SMILES for dodecanoyl 3-hydroxytetradecanoate is CCCCCCCCCCCC(=O)OC(=O)CC(O)CCCCCCCCCCC.
What is the InChIKey of dodecanoyl 3-hydroxytetradecanoate?
The InChIKey is YZDDADAOJSBONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50O4/c1-3-5-7-9-11-13-15-17-19-21-24(27)23-26(29)30-25(28)22-20-18-16-14-12-10-8-6-4-2/h24,27H,3-23H2,1-2H3.
What are the key properties of dodecanoyl 3-hydroxytetradecanoate?
dodecanoyl 3-hydroxytetradecanoate has a molecular weight of 426.68 g/mol, XLogP of 7.65, 22 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecanoyl 3-hydroxytetradecanoate is sourced from PubChem (CID 175532519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).