5-ethyl-5-propylundecane

C16H34 — CID 520323

IUPAC5-ethyl-5-propylundecane
SMILESCCCCCCC(CC)(CCC)CCCC
InChIInChI=1S/C16H34/c1-5-9-11-12-15-16(8-4,13-7-3)14-10-6-2/h5-15H2,1-4H3
InChIKeyMEBZNFSYULDMSV-UHFFFAOYSA-N
MW226.45 g/mol
LogP6.34
Rot. Bonds11

About 5-ethyl-5-propylundecane

5-ethyl-5-propylundecane (PubChem CID 520323) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 5-ethyl-5-propylundecane.

Molecular Properties

Compound Name5-ethyl-5-propylundecane
PubChem CID520323
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name5-ethyl-5-propylundecane
SMILESCCCCCCC(CC)(CCC)CCCC
InChIInChI=1S/C16H34/c1-5-9-11-12-15-16(8-4,13-7-3)14-10-6-2/h5-15H2,1-4H3
InChIKeyMEBZNFSYULDMSV-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 56.34
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-propylundecane?
The IUPAC name of 5-ethyl-5-propylundecane (CID 520323) is 5-ethyl-5-propylundecane.
What is the SMILES notation for 5-ethyl-5-propylundecane?
The canonical SMILES for 5-ethyl-5-propylundecane is CCCCCCC(CC)(CCC)CCCC.
What is the InChIKey of 5-ethyl-5-propylundecane?
The InChIKey is MEBZNFSYULDMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-5-9-11-12-15-16(8-4,13-7-3)14-10-6-2/h5-15H2,1-4H3.
What are the key properties of 5-ethyl-5-propylundecane?
5-ethyl-5-propylundecane has a molecular weight of 226.45 g/mol, XLogP of 6.34, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-propylundecane is sourced from PubChem (CID 520323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).