19-propyltritriaconta-6,9,24-triene

C36H68 — CID 54372361

IUPAC19-propyltritriaconta-6,9,24-triene
SMILESCCCCCC=CCC=CCCCCCCCCC(CCC)CCCCC=CCCCCCCCC
InChIInChI=1S/C36H68/c1-4-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-35-36(33-6-3)34-31-29-27-25-23-18-16-14-12-10-8-5-2/h13,15,19-20,23,25,36H,4-12,14,16-18,21-22,24,26-35H2,1-3H3
InChIKeyJDBQMGDJMKOOSA-UHFFFAOYSA-N
MW500.94 g/mol
LogP13.47
Rot. Bonds29

About 19-propyltritriaconta-6,9,24-triene

19-propyltritriaconta-6,9,24-triene (PubChem CID 54372361) has the molecular formula C36H68 and a molecular weight of 500.94 g/mol. Its IUPAC name is 19-propyltritriaconta-6,9,24-triene.

Molecular Properties

Compound Name19-propyltritriaconta-6,9,24-triene
PubChem CID54372361
Molecular FormulaC36H68
Molecular Weight500.94 g/mol
Exact Mass500.53
IUPAC Name19-propyltritriaconta-6,9,24-triene
SMILESCCCCCC=CCC=CCCCCCCCCC(CCC)CCCCC=CCCCCCCCC
InChIInChI=1S/C36H68/c1-4-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-35-36(33-6-3)34-31-29-27-25-23-18-16-14-12-10-8-5-2/h13,15,19-20,23,25,36H,4-12,14,16-18,21-22,24,26-35H2,1-3H3
InChIKeyJDBQMGDJMKOOSA-UHFFFAOYSA-N
XLogP13.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds29
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.94
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

13-propylhenicos-9-ene
CID 175294626
(E)-10-propyldocos-5-ene
CID 173194543
6-propylhexadec-8-ene
CID 174779500
(E)-12-propylhexacos-9-ene
CID 173194429
(15Z,18Z)-N,N-dimethyl-6-octadeca-9,12-dienyltetracosa-15,18-dien-1-amine
CID 171447799
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
(9Z,12Z)-octadeca-9,12-dien-4-amine
CID 140562602
(2S)-N,N-dimethyl-2-nonylhenicosa-12,15-dien-1-amine
CID 175125330
16-ethylhenicos-6-ene
CID 173194293
(E)-14-ethylnonadec-7-ene
CID 173194393

Frequently Asked Questions

What is the IUPAC name of 19-propyltritriaconta-6,9,24-triene?
The IUPAC name of 19-propyltritriaconta-6,9,24-triene (CID 54372361) is 19-propyltritriaconta-6,9,24-triene.
What is the SMILES notation for 19-propyltritriaconta-6,9,24-triene?
The canonical SMILES for 19-propyltritriaconta-6,9,24-triene is CCCCCC=CCC=CCCCCCCCCC(CCC)CCCCC=CCCCCCCCC.
What is the InChIKey of 19-propyltritriaconta-6,9,24-triene?
The InChIKey is JDBQMGDJMKOOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H68/c1-4-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-35-36(33-6-3)34-31-29-27-25-23-18-16-14-12-10-8-5-2/h13,15,19-20,23,25,36H,4-12,14,16-18,21-22,24,26-35H2,1-3H3.
What are the key properties of 19-propyltritriaconta-6,9,24-triene?
19-propyltritriaconta-6,9,24-triene has a molecular weight of 500.94 g/mol, XLogP of 13.47, 29 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 19-propyltritriaconta-6,9,24-triene is sourced from PubChem (CID 54372361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).