(2-decanoyloxy-1,2-dipyridin-2-ylethenyl) decanoate

C32H46N2O4 — CID 54192954

IUPAC(2-decanoyloxy-1,2-dipyridin-2-ylethenyl) decanoate
SMILESCCCCCCCCCC(=O)OC(=C(OC(=O)CCCCCCCCC)c1ccccn1)c1ccccn1
InChIInChI=1S/C32H46N2O4/c1-3-5-7-9-11-13-15-23-29(35)37-31(27-21-17-19-25-33-27)32(28-22-18-20-26-34-28)38-30(36)24-16-14-12-10-8-6-4-2/h17-22,25-26H,3-16,23-24H2,1-2H3
InChIKeyPJUCAPILOFMPET-UHFFFAOYSA-N
MW522.73 g/mol
LogP8.67
Rot. Bonds20

About (2-decanoyloxy-1,2-dipyridin-2-ylethenyl) decanoate

(2-decanoyloxy-1,2-dipyridin-2-ylethenyl) decanoate (PubChem CID 54192954) has the molecular formula C32H46N2O4 and a molecular weight of 522.73 g/mol. Its IUPAC name is (2-decanoyloxy-1,2-dipyridin-2-ylethenyl) decanoate.

Molecular Properties

Compound Name(2-decanoyloxy-1,2-dipyridin-2-ylethenyl) decanoate
PubChem CID54192954
Molecular FormulaC32H46N2O4
Molecular Weight522.73 g/mol
Exact Mass522.35
IUPAC Name(2-decanoyloxy-1,2-dipyridin-2-ylethenyl) decanoate
SMILESCCCCCCCCCC(=O)OC(=C(OC(=O)CCCCCCCCC)c1ccccn1)c1ccccn1
InChIInChI=1S/C32H46N2O4/c1-3-5-7-9-11-13-15-23-29(35)37-31(27-21-17-19-25-33-27)32(28-22-18-20-26-34-28)38-30(36)24-16-14-12-10-8-6-4-2/h17-22,25-26H,3-16,23-24H2,1-2H3
InChIKeyPJUCAPILOFMPET-UHFFFAOYSA-N
XLogP8.67
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.73
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-pyridin-2-ylhexan-1-one
CID 556347
pyridin-2-yl hexadecanoate;hydrochloride
CID 70209736
2-hept-1-en-2-ylpyridine
CID 67857415
pentadecanoyl hexadecanoate
CID 87499774
ditetradecanoyl hexanedioate
CID 175560209
henicosanoyl docosanoate
CID 175302110
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
dinonanoyl benzene-1,2-dicarboxylate
CID 175883332
acetic acid;octadecanoyl octadecanoate
CID 174501345
dodecanoyl dodecanoate;sulfane
CID 174888621
ethane;octadecanoyl octadecanoate
CID 174636018

Frequently Asked Questions

What is the IUPAC name of (2-decanoyloxy-1,2-dipyridin-2-ylethenyl) decanoate?
The IUPAC name of (2-decanoyloxy-1,2-dipyridin-2-ylethenyl) decanoate (CID 54192954) is (2-decanoyloxy-1,2-dipyridin-2-ylethenyl) decanoate.
What is the SMILES notation for (2-decanoyloxy-1,2-dipyridin-2-ylethenyl) decanoate?
The canonical SMILES for (2-decanoyloxy-1,2-dipyridin-2-ylethenyl) decanoate is CCCCCCCCCC(=O)OC(=C(OC(=O)CCCCCCCCC)c1ccccn1)c1ccccn1.
What is the InChIKey of (2-decanoyloxy-1,2-dipyridin-2-ylethenyl) decanoate?
The InChIKey is PJUCAPILOFMPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N2O4/c1-3-5-7-9-11-13-15-23-29(35)37-31(27-21-17-19-25-33-27)32(28-22-18-20-26-34-28)38-30(36)24-16-14-12-10-8-6-4-2/h17-22,25-26H,3-16,23-24H2,1-2H3.
What are the key properties of (2-decanoyloxy-1,2-dipyridin-2-ylethenyl) decanoate?
(2-decanoyloxy-1,2-dipyridin-2-ylethenyl) decanoate has a molecular weight of 522.73 g/mol, XLogP of 8.67, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-decanoyloxy-1,2-dipyridin-2-ylethenyl) decanoate is sourced from PubChem (CID 54192954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).