5-ethyl-2,8-dimethyl-5-pentan-3-yltridecane

C22H46 — CID 123877125

IUPAC5-ethyl-2,8-dimethyl-5-pentan-3-yltridecane
SMILESCCCCCC(C)CCC(CC)(CCC(C)C)C(CC)CC
InChIInChI=1S/C22H46/c1-8-12-13-14-20(7)16-18-22(11-4,17-15-19(5)6)21(9-2)10-3/h19-21H,8-18H2,1-7H3
InChIKeyLHNOLTGXBLRXCS-UHFFFAOYSA-N
MW310.61 g/mol
LogP8.25
Rot. Bonds14

About 5-ethyl-2,8-dimethyl-5-pentan-3-yltridecane

5-ethyl-2,8-dimethyl-5-pentan-3-yltridecane (PubChem CID 123877125) has the molecular formula C22H46 and a molecular weight of 310.61 g/mol. Its IUPAC name is 5-ethyl-2,8-dimethyl-5-pentan-3-yltridecane.

Molecular Properties

Compound Name5-ethyl-2,8-dimethyl-5-pentan-3-yltridecane
PubChem CID123877125
Molecular FormulaC22H46
Molecular Weight310.61 g/mol
Exact Mass310.36
IUPAC Name5-ethyl-2,8-dimethyl-5-pentan-3-yltridecane
SMILESCCCCCC(C)CCC(CC)(CCC(C)C)C(CC)CC
InChIInChI=1S/C22H46/c1-8-12-13-14-20(7)16-18-22(11-4,17-15-19(5)6)21(9-2)10-3/h19-21H,8-18H2,1-7H3
InChIKeyLHNOLTGXBLRXCS-UHFFFAOYSA-N
XLogP8.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.61
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-ethyl-2,8-dimethyl-5-pentan-3-yltridecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,8-dimethyl-5-pentan-3-yltridecane?
The IUPAC name of 5-ethyl-2,8-dimethyl-5-pentan-3-yltridecane (CID 123877125) is 5-ethyl-2,8-dimethyl-5-pentan-3-yltridecane.
What is the SMILES notation for 5-ethyl-2,8-dimethyl-5-pentan-3-yltridecane?
The canonical SMILES for 5-ethyl-2,8-dimethyl-5-pentan-3-yltridecane is CCCCCC(C)CCC(CC)(CCC(C)C)C(CC)CC.
What is the InChIKey of 5-ethyl-2,8-dimethyl-5-pentan-3-yltridecane?
The InChIKey is LHNOLTGXBLRXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46/c1-8-12-13-14-20(7)16-18-22(11-4,17-15-19(5)6)21(9-2)10-3/h19-21H,8-18H2,1-7H3.
What are the key properties of 5-ethyl-2,8-dimethyl-5-pentan-3-yltridecane?
5-ethyl-2,8-dimethyl-5-pentan-3-yltridecane has a molecular weight of 310.61 g/mol, XLogP of 8.25, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,8-dimethyl-5-pentan-3-yltridecane is sourced from PubChem (CID 123877125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).