5-ethyl-5-methyldecane

C13H28 — CID 28473

IUPAC5-ethyl-5-methyldecane
SMILESCCCCCC(C)(CC)CCCC
InChIInChI=1S/C13H28/c1-5-8-10-12-13(4,7-3)11-9-6-2/h5-12H2,1-4H3
InChIKeyMETKCQZZZVWWCD-UHFFFAOYSA-N
MW184.37 g/mol
LogP5.17
Rot. Bonds8

About 5-ethyl-5-methyldecane

5-ethyl-5-methyldecane (PubChem CID 28473) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 5-ethyl-5-methyldecane.

Molecular Properties

Compound Name5-ethyl-5-methyldecane
PubChem CID28473
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name5-ethyl-5-methyldecane
SMILESCCCCCC(C)(CC)CCCC
InChIInChI=1S/C13H28/c1-5-8-10-12-13(4,7-3)11-9-6-2/h5-12H2,1-4H3
InChIKeyMETKCQZZZVWWCD-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500184.37
LogP ≤ 55.17
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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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyldecane?
The IUPAC name of 5-ethyl-5-methyldecane (CID 28473) is 5-ethyl-5-methyldecane.
What is the SMILES notation for 5-ethyl-5-methyldecane?
The canonical SMILES for 5-ethyl-5-methyldecane is CCCCCC(C)(CC)CCCC.
What is the InChIKey of 5-ethyl-5-methyldecane?
The InChIKey is METKCQZZZVWWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-5-8-10-12-13(4,7-3)11-9-6-2/h5-12H2,1-4H3.
What are the key properties of 5-ethyl-5-methyldecane?
5-ethyl-5-methyldecane has a molecular weight of 184.37 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyldecane is sourced from PubChem (CID 28473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).