24-(2-hydroxytetracos-15-enoyloxy)tetracos-2-enoic acid

C48H90O5 — CID 91594290

IUPAC24-(2-hydroxytetracos-15-enoyloxy)tetracos-2-enoic acid
SMILESCCCCCCCCC=CCCCCCCCCCCCCC(O)C(=O)OCCCCCCCCCCCCCCCCCCCCCC=CC(=O)O
InChIInChI=1S/C48H90O5/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22-25-28-31-34-37-40-43-46(49)48(52)53-45-42-39-36-33-30-27-24-21-18-15-13-14-17-20-23-26-29-32-35-38-41-44-47(50)51/h9-10,41,44,46,49H,2-8,11-40,42-43,45H2,1H3,(H,50,51)
InChIKeyPEYFWLVJKAXFEY-UHFFFAOYSA-N
MW747.24 g/mol
LogP15.32
Rot. Bonds44

About 24-(2-hydroxytetracos-15-enoyloxy)tetracos-2-enoic acid

24-(2-hydroxytetracos-15-enoyloxy)tetracos-2-enoic acid (PubChem CID 91594290) has the molecular formula C48H90O5 and a molecular weight of 747.24 g/mol. Its IUPAC name is 24-(2-hydroxytetracos-15-enoyloxy)tetracos-2-enoic acid.

Molecular Properties

Compound Name24-(2-hydroxytetracos-15-enoyloxy)tetracos-2-enoic acid
PubChem CID91594290
Molecular FormulaC48H90O5
Molecular Weight747.24 g/mol
Exact Mass746.68
IUPAC Name24-(2-hydroxytetracos-15-enoyloxy)tetracos-2-enoic acid
SMILESCCCCCCCCC=CCCCCCCCCCCCCC(O)C(=O)OCCCCCCCCCCCCCCCCCCCCCC=CC(=O)O
InChIInChI=1S/C48H90O5/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22-25-28-31-34-37-40-43-46(49)48(52)53-45-42-39-36-33-30-27-24-21-18-15-13-14-17-20-23-26-29-32-35-38-41-44-47(50)51/h9-10,41,44,46,49H,2-8,11-40,42-43,45H2,1H3,(H,50,51)
InChIKeyPEYFWLVJKAXFEY-UHFFFAOYSA-N
XLogP15.32
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds44
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.24
LogP ≤ 515.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 22753830
octacosyl 2-hydroxyoctadecanoate
CID 152554946
12,13-dihydroxyoctadec-2-enoic acid
CID 71343147
14-hydroxyicos-2-enoic acid
CID 54225996
icosa-2,12-dienoic acid
CID 174301675
icosa-2,11-dienoic acid
CID 54537818
9-methoxyhexadec-2-enoic acid
CID 163192644
octyl (Z)-2-dodecyloctadec-9-enoate
CID 154635313
dodecyl (Z)-2-octyloctadec-9-enoate
CID 11192280
undec-2-enoic acid
CID 519180
11-hydroxypentadec-2-enoic acid
CID 162983544
10-methylheptadec-2-enoic acid
CID 176885853

Frequently Asked Questions

What is the IUPAC name of 24-(2-hydroxytetracos-15-enoyloxy)tetracos-2-enoic acid?
The IUPAC name of 24-(2-hydroxytetracos-15-enoyloxy)tetracos-2-enoic acid (CID 91594290) is 24-(2-hydroxytetracos-15-enoyloxy)tetracos-2-enoic acid.
What is the SMILES notation for 24-(2-hydroxytetracos-15-enoyloxy)tetracos-2-enoic acid?
The canonical SMILES for 24-(2-hydroxytetracos-15-enoyloxy)tetracos-2-enoic acid is CCCCCCCCC=CCCCCCCCCCCCCC(O)C(=O)OCCCCCCCCCCCCCCCCCCCCCC=CC(=O)O.
What is the InChIKey of 24-(2-hydroxytetracos-15-enoyloxy)tetracos-2-enoic acid?
The InChIKey is PEYFWLVJKAXFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H90O5/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22-25-28-31-34-37-40-43-46(49)48(52)53-45-42-39-36-33-30-27-24-21-18-15-13-14-17-20-23-26-29-32-35-38-41-44-47(50)51/h9-10,41,44,46,49H,2-8,11-40,42-43,45H2,1H3,(H,50,51).
What are the key properties of 24-(2-hydroxytetracos-15-enoyloxy)tetracos-2-enoic acid?
24-(2-hydroxytetracos-15-enoyloxy)tetracos-2-enoic acid has a molecular weight of 747.24 g/mol, XLogP of 15.32, 44 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 24-(2-hydroxytetracos-15-enoyloxy)tetracos-2-enoic acid is sourced from PubChem (CID 91594290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).