5-ethyl-5-methylundecane

C14H30 — CID 57491570

IUPAC5-ethyl-5-methylundecane
SMILESCCCCCCC(C)(CC)CCCC
InChIInChI=1S/C14H30/c1-5-8-10-11-13-14(4,7-3)12-9-6-2/h5-13H2,1-4H3
InChIKeyGZMBSBGIHZIGFI-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.56
Rot. Bonds9

About 5-ethyl-5-methylundecane

5-ethyl-5-methylundecane (PubChem CID 57491570) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 5-ethyl-5-methylundecane.

Molecular Properties

Compound Name5-ethyl-5-methylundecane
PubChem CID57491570
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name5-ethyl-5-methylundecane
SMILESCCCCCCC(C)(CC)CCCC
InChIInChI=1S/C14H30/c1-5-8-10-11-13-14(4,7-3)12-9-6-2/h5-13H2,1-4H3
InChIKeyGZMBSBGIHZIGFI-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.56
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-methylhenicosane
CID 86034991
5-ethyl-5-methylhentetracontane
CID 123896152
3-ethyl-3-methyltetradecane
CID 54159558
3-ethyl-3-methyldecane
CID 545661
3-ethyl-3-methyldodecane
CID 56619966
5-butyl-5-methylpentadecane
CID 174700907
ethane;4-ethyl-4-methylnonane
CID 164538733
13-methyl-13-octylhentriacontane
CID 173152457
11-methyl-11-nonylhenicosane
CID 19690388
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-methylundecane?
The IUPAC name of 5-ethyl-5-methylundecane (CID 57491570) is 5-ethyl-5-methylundecane.
What is the SMILES notation for 5-ethyl-5-methylundecane?
The canonical SMILES for 5-ethyl-5-methylundecane is CCCCCCC(C)(CC)CCCC.
What is the InChIKey of 5-ethyl-5-methylundecane?
The InChIKey is GZMBSBGIHZIGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-5-8-10-11-13-14(4,7-3)12-9-6-2/h5-13H2,1-4H3.
What are the key properties of 5-ethyl-5-methylundecane?
5-ethyl-5-methylundecane has a molecular weight of 198.39 g/mol, XLogP of 5.56, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methylundecane is sourced from PubChem (CID 57491570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).