5-ethyl-9,16,19,19-tetramethylicos-2-ene

C26H52 — CID 91267212

IUPAC5-ethyl-9,16,19,19-tetramethylicos-2-ene
SMILESCC=CCC(CC)CCCC(C)CCCCCCC(C)CCC(C)(C)C
InChIInChI=1S/C26H52/c1-8-10-19-25(9-2)20-15-18-23(3)16-13-11-12-14-17-24(4)21-22-26(5,6)7/h8,10,23-25H,9,11-22H2,1-7H3
InChIKeyOKBWJCLCMLMIJM-UHFFFAOYSA-N
MW364.70 g/mol
LogP9.59
Rot. Bonds16

About 5-ethyl-9,16,19,19-tetramethylicos-2-ene

5-ethyl-9,16,19,19-tetramethylicos-2-ene (PubChem CID 91267212) has the molecular formula C26H52 and a molecular weight of 364.70 g/mol. Its IUPAC name is 5-ethyl-9,16,19,19-tetramethylicos-2-ene.

Molecular Properties

Compound Name5-ethyl-9,16,19,19-tetramethylicos-2-ene
PubChem CID91267212
Molecular FormulaC26H52
Molecular Weight364.70 g/mol
Exact Mass364.41
IUPAC Name5-ethyl-9,16,19,19-tetramethylicos-2-ene
SMILESCC=CCC(CC)CCCC(C)CCCCCCC(C)CCC(C)(C)C
InChIInChI=1S/C26H52/c1-8-10-19-25(9-2)20-15-18-23(3)16-13-11-12-14-17-24(4)21-22-26(5,6)7/h8,10,23-25H,9,11-22H2,1-7H3
InChIKeyOKBWJCLCMLMIJM-UHFFFAOYSA-N
XLogP9.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.70
LogP ≤ 59.59
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

2,2,5-trimethyldodecane
CID 54169953
10-ethyl-5,16,18-trimethylicos-2-ene
CID 123901868
3-ethyl-9,12,12-trimethylpentadecane
CID 123730767
5-ethyloct-2-ene
CID 54276882
5-ethyl-2,2-dimethyltetradecane
CID 162426700
methane;2,2,5,9,13-pentamethyltetradecane
CID 159071940
2,2,13-trimethylpentadecane
CID 150334228
19-ethyl-15-methyltetratriacontane
CID 123150994
2,2,5-trimethyl-11-propan-2-ylpentadecane
CID 123879989
15,19-didecyl-11-ethyl-23-methyltritriacontane
CID 175146840
6-ethyl-9,9-dimethyldecan-1-ol
CID 176971443
6-ethyl-10-methyldodeca-1,3-diene
CID 154162767

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-9,16,19,19-tetramethylicos-2-ene?
The IUPAC name of 5-ethyl-9,16,19,19-tetramethylicos-2-ene (CID 91267212) is 5-ethyl-9,16,19,19-tetramethylicos-2-ene.
What is the SMILES notation for 5-ethyl-9,16,19,19-tetramethylicos-2-ene?
The canonical SMILES for 5-ethyl-9,16,19,19-tetramethylicos-2-ene is CC=CCC(CC)CCCC(C)CCCCCCC(C)CCC(C)(C)C.
What is the InChIKey of 5-ethyl-9,16,19,19-tetramethylicos-2-ene?
The InChIKey is OKBWJCLCMLMIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52/c1-8-10-19-25(9-2)20-15-18-23(3)16-13-11-12-14-17-24(4)21-22-26(5,6)7/h8,10,23-25H,9,11-22H2,1-7H3.
What are the key properties of 5-ethyl-9,16,19,19-tetramethylicos-2-ene?
5-ethyl-9,16,19,19-tetramethylicos-2-ene has a molecular weight of 364.70 g/mol, XLogP of 9.59, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-9,16,19,19-tetramethylicos-2-ene is sourced from PubChem (CID 91267212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).