(3R)-3-nonanoyloxytetradecanoic acid

C23H44O4 — CID 54008856

IUPAC(3R)-3-nonanoyloxytetradecanoic acid
SMILESCCCCCCCCCCC[C@H](CC(=O)O)OC(=O)CCCCCCCC
InChIInChI=1S/C23H44O4/c1-3-5-7-9-11-12-13-14-16-18-21(20-22(24)25)27-23(26)19-17-15-10-8-6-4-2/h21H,3-20H2,1-2H3,(H,24,25)/t21-/m1/s1
InChIKeyKQVYJXQZVSSBJX-OAQYLSRUSA-N
MW384.60 g/mol
LogP7.04
Rot. Bonds20

About (3R)-3-nonanoyloxytetradecanoic acid

(3R)-3-nonanoyloxytetradecanoic acid (PubChem CID 54008856) has the molecular formula C23H44O4 and a molecular weight of 384.60 g/mol. Its IUPAC name is (3R)-3-nonanoyloxytetradecanoic acid.

Molecular Properties

Compound Name(3R)-3-nonanoyloxytetradecanoic acid
PubChem CID54008856
Molecular FormulaC23H44O4
Molecular Weight384.60 g/mol
Exact Mass384.32
IUPAC Name(3R)-3-nonanoyloxytetradecanoic acid
SMILESCCCCCCCCCCC[C@H](CC(=O)O)OC(=O)CCCCCCCC
InChIInChI=1S/C23H44O4/c1-3-5-7-9-11-12-13-14-16-18-21(20-22(24)25)27-23(26)19-17-15-10-8-6-4-2/h21H,3-20H2,1-2H3,(H,24,25)/t21-/m1/s1
InChIKeyKQVYJXQZVSSBJX-OAQYLSRUSA-N
XLogP7.04
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.60
LogP ≤ 57.04
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

3-pentadecanoyloxydodecanoic acid
CID 171117414
3-tetradecanoyloxydodecanoic acid
CID 171117412
3-nonanoyloxydodecanoic acid
CID 171117444
3-icosanoyloxynonanoic acid
CID 171117466
3-tridecanoyloxyundecanoic acid
CID 171117589
3-heptadecanoyloxyhexanoic acid
CID 171117383
3-dodecanoyloxyhexanoic acid
CID 171117373
3-[(Z)-heptadec-10-enoyl]oxydocosanoic acid
CID 134775732
3-[(Z)-docos-13-enoyl]oxydodecanoic acid
CID 171117432
3-[(Z)-icos-11-enoyl]oxyhexadecanoic acid
CID 134760037
3-[(Z)-pentadec-9-enoyl]oxyundecanoic acid
CID 171117594
3-[(Z)-tetradec-7-enoyl]oxydodecanoic acid
CID 171120171

Frequently Asked Questions

What is the IUPAC name of (3R)-3-nonanoyloxytetradecanoic acid?
The IUPAC name of (3R)-3-nonanoyloxytetradecanoic acid (CID 54008856) is (3R)-3-nonanoyloxytetradecanoic acid.
What is the SMILES notation for (3R)-3-nonanoyloxytetradecanoic acid?
The canonical SMILES for (3R)-3-nonanoyloxytetradecanoic acid is CCCCCCCCCCC[C@H](CC(=O)O)OC(=O)CCCCCCCC.
What is the InChIKey of (3R)-3-nonanoyloxytetradecanoic acid?
The InChIKey is KQVYJXQZVSSBJX-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H44O4/c1-3-5-7-9-11-12-13-14-16-18-21(20-22(24)25)27-23(26)19-17-15-10-8-6-4-2/h21H,3-20H2,1-2H3,(H,24,25)/t21-/m1/s1.
What are the key properties of (3R)-3-nonanoyloxytetradecanoic acid?
(3R)-3-nonanoyloxytetradecanoic acid has a molecular weight of 384.60 g/mol, XLogP of 7.04, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-nonanoyloxytetradecanoic acid is sourced from PubChem (CID 54008856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).