10-pentadecanoyloxytetracosanoic acid

C39H76O4 — CID 133048699

IUPAC10-pentadecanoyloxytetracosanoic acid
SMILESCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCCC)CCCCCCCCC(=O)O
InChIInChI=1S/C39H76O4/c1-3-5-7-9-11-13-15-17-19-21-25-29-33-37(34-30-26-23-24-27-31-35-38(40)41)43-39(42)36-32-28-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H,40,41)
InChIKeyZDNLHLYUWZGDPY-UHFFFAOYSA-N
MW609.03 g/mol
LogP13.29
Rot. Bonds36

About 10-pentadecanoyloxytetracosanoic acid

10-pentadecanoyloxytetracosanoic acid (PubChem CID 133048699) has the molecular formula C39H76O4 and a molecular weight of 609.03 g/mol. Its IUPAC name is 10-pentadecanoyloxytetracosanoic acid.

Molecular Properties

Compound Name10-pentadecanoyloxytetracosanoic acid
PubChem CID133048699
Molecular FormulaC39H76O4
Molecular Weight609.03 g/mol
Exact Mass608.57
IUPAC Name10-pentadecanoyloxytetracosanoic acid
SMILESCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCCC)CCCCCCCCC(=O)O
InChIInChI=1S/C39H76O4/c1-3-5-7-9-11-13-15-17-19-21-25-29-33-37(34-30-26-23-24-27-31-35-38(40)41)43-39(42)36-32-28-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H,40,41)
InChIKeyZDNLHLYUWZGDPY-UHFFFAOYSA-N
XLogP13.29
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds36
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.03
LogP ≤ 513.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11-tetracosanoyloxytetracosanoic acid
CID 133051703
8-undecanoyloxytetradecanoic acid
CID 138232989
9-henicosanoyloxyhenicosanoic acid
CID 138240235
17-icosanoyloxydocosanoic acid
CID 133050004
19-icosanoyloxytetracosanoic acid
CID 133050026
9-pentadecanoyloxynonadecanoic acid
CID 138160959
9-docosanoyloxynonadecanoic acid
CID 138220014
7-docosanoyloxytetracosanoic acid
CID 133050791
15-tetracosanoyloxydocosanoic acid
CID 133051688
14-tetracosanoyloxyicosanoic acid
CID 133051669
7-dodecanoyloxydodecanoic acid
CID 138297320
12-hexadecanoyloxytetracosanoic acid
CID 133048932

Frequently Asked Questions

What is the IUPAC name of 10-pentadecanoyloxytetracosanoic acid?
The IUPAC name of 10-pentadecanoyloxytetracosanoic acid (CID 133048699) is 10-pentadecanoyloxytetracosanoic acid.
What is the SMILES notation for 10-pentadecanoyloxytetracosanoic acid?
The canonical SMILES for 10-pentadecanoyloxytetracosanoic acid is CCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCCC)CCCCCCCCC(=O)O.
What is the InChIKey of 10-pentadecanoyloxytetracosanoic acid?
The InChIKey is ZDNLHLYUWZGDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H76O4/c1-3-5-7-9-11-13-15-17-19-21-25-29-33-37(34-30-26-23-24-27-31-35-38(40)41)43-39(42)36-32-28-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H,40,41).
What are the key properties of 10-pentadecanoyloxytetracosanoic acid?
10-pentadecanoyloxytetracosanoic acid has a molecular weight of 609.03 g/mol, XLogP of 13.29, 36 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-pentadecanoyloxytetracosanoic acid is sourced from PubChem (CID 133048699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).