5-ethyl-5-methylhenicosane

C24H50 — CID 86034991

IUPAC5-ethyl-5-methylhenicosane
SMILESCCCCCCCCCCCCCCCCC(C)(CC)CCCC
InChIInChI=1S/C24H50/c1-5-8-10-11-12-13-14-15-16-17-18-19-20-21-23-24(4,7-3)22-9-6-2/h5-23H2,1-4H3
InChIKeyQTRUUSFEKLCKER-UHFFFAOYSA-N
MW338.66 g/mol
LogP9.46
Rot. Bonds19

About 5-ethyl-5-methylhenicosane

5-ethyl-5-methylhenicosane (PubChem CID 86034991) has the molecular formula C24H50 and a molecular weight of 338.66 g/mol. Its IUPAC name is 5-ethyl-5-methylhenicosane.

Molecular Properties

Compound Name5-ethyl-5-methylhenicosane
PubChem CID86034991
Molecular FormulaC24H50
Molecular Weight338.66 g/mol
Exact Mass338.39
IUPAC Name5-ethyl-5-methylhenicosane
SMILESCCCCCCCCCCCCCCCCC(C)(CC)CCCC
InChIInChI=1S/C24H50/c1-5-8-10-11-12-13-14-15-16-17-18-19-20-21-23-24(4,7-3)22-9-6-2/h5-23H2,1-4H3
InChIKeyQTRUUSFEKLCKER-UHFFFAOYSA-N
XLogP9.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.66
LogP ≤ 59.46
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

5-ethyl-5-methylundecane
CID 57491570
5-ethyl-5-methylhentetracontane
CID 123896152
3-ethyl-3-methyltetradecane
CID 54159558
3-ethyl-3-methyldodecane
CID 56619966
3-ethyl-3-methyldecane
CID 545661
5-butyl-5-methylpentadecane
CID 174700907
ethane;4-ethyl-4-methylnonane
CID 164538733
11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
CID 173152457
4-ethyl-4-methyloctane;propane
CID 176660925
2-ethyl-N,2-dimethylundecan-1-amine
CID 63508847
4-ethyl-2,4-dimethylundecane
CID 22481197

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methylhenicosane?
The IUPAC name of 5-ethyl-5-methylhenicosane (CID 86034991) is 5-ethyl-5-methylhenicosane.
What is the SMILES notation for 5-ethyl-5-methylhenicosane?
The canonical SMILES for 5-ethyl-5-methylhenicosane is CCCCCCCCCCCCCCCCC(C)(CC)CCCC.
What is the InChIKey of 5-ethyl-5-methylhenicosane?
The InChIKey is QTRUUSFEKLCKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50/c1-5-8-10-11-12-13-14-15-16-17-18-19-20-21-23-24(4,7-3)22-9-6-2/h5-23H2,1-4H3.
What are the key properties of 5-ethyl-5-methylhenicosane?
5-ethyl-5-methylhenicosane has a molecular weight of 338.66 g/mol, XLogP of 9.46, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methylhenicosane is sourced from PubChem (CID 86034991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).