15,19-didecyl-11-ethyl-23-methyltritriacontane

C56H114 — CID 175146840

IUPAC15,19-didecyl-11-ethyl-23-methyltritriacontane
SMILESCCCCCCCCCCC(C)CCCC(CCCCCCCCCC)CCCC(CCCCCCCCCC)CCCC(CC)CCCCCCCCCC
InChIInChI=1S/C56H114/c1-7-12-16-20-24-28-32-36-43-53(6)44-40-49-55(46-38-34-30-26-22-18-14-9-3)51-42-52-56(47-39-35-31-27-23-19-15-10-4)50-41-48-54(11-5)45-37-33-29-25-21-17-13-8-2/h53-56H,7-52H2,1-6H3
InChIKeyXEDFMPVLDZJYFL-UHFFFAOYSA-N
MW787.53 g/mol
LogP21.52
Rot. Bonds49

About 15,19-didecyl-11-ethyl-23-methyltritriacontane

15,19-didecyl-11-ethyl-23-methyltritriacontane (PubChem CID 175146840) has the molecular formula C56H114 and a molecular weight of 787.53 g/mol. Its IUPAC name is 15,19-didecyl-11-ethyl-23-methyltritriacontane.

Molecular Properties

Compound Name15,19-didecyl-11-ethyl-23-methyltritriacontane
PubChem CID175146840
Molecular FormulaC56H114
Molecular Weight787.53 g/mol
Exact Mass786.89
IUPAC Name15,19-didecyl-11-ethyl-23-methyltritriacontane
SMILESCCCCCCCCCCC(C)CCCC(CCCCCCCCCC)CCCC(CCCCCCCCCC)CCCC(CC)CCCCCCCCCC
InChIInChI=1S/C56H114/c1-7-12-16-20-24-28-32-36-43-53(6)44-40-49-55(46-38-34-30-26-22-18-14-9-3)51-42-52-56(47-39-35-31-27-23-19-15-10-4)50-41-48-54(11-5)45-37-33-29-25-21-17-13-8-2/h53-56H,7-52H2,1-6H3
InChIKeyXEDFMPVLDZJYFL-UHFFFAOYSA-N
XLogP21.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds49
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.53
LogP ≤ 521.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 123150994
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CID 123421227
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CID 123619510
13-methyl-24-tetradecyltritetracontane
CID 173071329
5-ethyl-8-methyltetradecane
CID 158454229
13-ethyl-3,8-dimethyloctadecane
CID 123214629
7-ethylpentadecane;5-ethylundecane;3-methylundecane;nonane;tridecane;undecane
CID 161368370
10-methyl-6,15-dipropylicosane
CID 144641599
24-docosyl-21-methylheptatetracontane
CID 173071241
6,10,24,28-tetramethyloctatriacontane
CID 6430659
7,11,21-trimethylhentriacontane
CID 6430672
15,19-dimethylpentatriacontane
CID 521781

Frequently Asked Questions

What is the IUPAC name of 15,19-didecyl-11-ethyl-23-methyltritriacontane?
The IUPAC name of 15,19-didecyl-11-ethyl-23-methyltritriacontane (CID 175146840) is 15,19-didecyl-11-ethyl-23-methyltritriacontane.
What is the SMILES notation for 15,19-didecyl-11-ethyl-23-methyltritriacontane?
The canonical SMILES for 15,19-didecyl-11-ethyl-23-methyltritriacontane is CCCCCCCCCCC(C)CCCC(CCCCCCCCCC)CCCC(CCCCCCCCCC)CCCC(CC)CCCCCCCCCC.
What is the InChIKey of 15,19-didecyl-11-ethyl-23-methyltritriacontane?
The InChIKey is XEDFMPVLDZJYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H114/c1-7-12-16-20-24-28-32-36-43-53(6)44-40-49-55(46-38-34-30-26-22-18-14-9-3)51-42-52-56(47-39-35-31-27-23-19-15-10-4)50-41-48-54(11-5)45-37-33-29-25-21-17-13-8-2/h53-56H,7-52H2,1-6H3.
What are the key properties of 15,19-didecyl-11-ethyl-23-methyltritriacontane?
15,19-didecyl-11-ethyl-23-methyltritriacontane has a molecular weight of 787.53 g/mol, XLogP of 21.52, 49 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15,19-didecyl-11-ethyl-23-methyltritriacontane is sourced from PubChem (CID 175146840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).