5,5-dimethylundecane

C13H28 — CID 28472

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

About 5,5-dimethylundecane

5,5-dimethylundecane (PubChem CID 28472) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 5,5-dimethylundecane.

Molecular Properties

Compound Name5,5-dimethylundecane
PubChem CID28472
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name5,5-dimethylundecane
SMILESCCCCCCC(C)(C)CCCC
InChIInChI=1S/C13H28/c1-5-7-9-10-12-13(3,4)11-8-6-2/h5-12H2,1-4H3
InChIKeyYQNMYOJSMPRRMP-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 5,5-dimethylundecane?
The IUPAC name of 5,5-dimethylundecane (CID 28472) is 5,5-dimethylundecane.
What is the SMILES notation for 5,5-dimethylundecane?
The canonical SMILES for 5,5-dimethylundecane is CCCCCCC(C)(C)CCCC.
What is the InChIKey of 5,5-dimethylundecane?
The InChIKey is YQNMYOJSMPRRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-5-7-9-10-12-13(3,4)11-8-6-2/h5-12H2,1-4H3.
What are the key properties of 5,5-dimethylundecane?
5,5-dimethylundecane 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 5,5-dimethylundecane is sourced from PubChem (CID 28472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).