4-ethyl-2,4-dimethylundecane

C15H32 — CID 22481197

IUPAC4-ethyl-2,4-dimethylundecane
SMILESCCCCCCCC(C)(CC)CC(C)C
InChIInChI=1S/C15H32/c1-6-8-9-10-11-12-15(5,7-2)13-14(3)4/h14H,6-13H2,1-5H3
InChIKeyNUCYCPGAFJHHTQ-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.81
Rot. Bonds9

About 4-ethyl-2,4-dimethylundecane

4-ethyl-2,4-dimethylundecane (PubChem CID 22481197) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 4-ethyl-2,4-dimethylundecane.

Molecular Properties

Compound Name4-ethyl-2,4-dimethylundecane
PubChem CID22481197
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name4-ethyl-2,4-dimethylundecane
SMILESCCCCCCCC(C)(CC)CC(C)C
InChIInChI=1S/C15H32/c1-6-8-9-10-11-12-15(5,7-2)13-14(3)4/h14H,6-13H2,1-5H3
InChIKeyNUCYCPGAFJHHTQ-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.81
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

4-ethyl-2,4,6-trimethyl-6-propylundecane
CID 123302800
3-ethyl-3-methyltetradecane
CID 54159558
3-ethyl-3-methyldecane
CID 545661
3-ethyl-3-methyldodecane
CID 56619966
3,5-diethyl-5-methylundecane
CID 123513202
5-ethyl-5-methylundecane
CID 57491570
5-ethyl-5-methylhenicosane
CID 86034991
5-ethyl-5-methylhentetracontane
CID 123896152
2,4-dimethyl-4-propyloctane
CID 57491235
2,4-dimethylnonan-4-ol
CID 3018500
13-methyl-13-octylhentriacontane
CID 173152457
11-methyl-11-nonylhenicosane
CID 19690388

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,4-dimethylundecane?
The IUPAC name of 4-ethyl-2,4-dimethylundecane (CID 22481197) is 4-ethyl-2,4-dimethylundecane.
What is the SMILES notation for 4-ethyl-2,4-dimethylundecane?
The canonical SMILES for 4-ethyl-2,4-dimethylundecane is CCCCCCCC(C)(CC)CC(C)C.
What is the InChIKey of 4-ethyl-2,4-dimethylundecane?
The InChIKey is NUCYCPGAFJHHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-6-8-9-10-11-12-15(5,7-2)13-14(3)4/h14H,6-13H2,1-5H3.
What are the key properties of 4-ethyl-2,4-dimethylundecane?
4-ethyl-2,4-dimethylundecane has a molecular weight of 212.42 g/mol, XLogP of 5.81, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,4-dimethylundecane is sourced from PubChem (CID 22481197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).