8-propan-2-yl-11-propyloctadecane

C24H50 — CID 123538924

IUPAC8-propan-2-yl-11-propyloctadecane
SMILESCCCCCCCC(CCC)CCC(CCCCCCC)C(C)C
InChIInChI=1S/C24H50/c1-6-9-11-13-15-18-23(17-8-3)20-21-24(22(4)5)19-16-14-12-10-7-2/h22-24H,6-21H2,1-5H3
InChIKeyARNKOCWFJAYATR-UHFFFAOYSA-N
MW338.66 g/mol
LogP9.18
Rot. Bonds18

About 8-propan-2-yl-11-propyloctadecane

8-propan-2-yl-11-propyloctadecane (PubChem CID 123538924) has the molecular formula C24H50 and a molecular weight of 338.66 g/mol. Its IUPAC name is 8-propan-2-yl-11-propyloctadecane.

Molecular Properties

Compound Name8-propan-2-yl-11-propyloctadecane
PubChem CID123538924
Molecular FormulaC24H50
Molecular Weight338.66 g/mol
Exact Mass338.39
IUPAC Name8-propan-2-yl-11-propyloctadecane
SMILESCCCCCCCC(CCC)CCC(CCCCCCC)C(C)C
InChIInChI=1S/C24H50/c1-6-9-11-13-15-18-23(17-8-3)20-21-24(22(4)5)19-16-14-12-10-7-2/h22-24H,6-21H2,1-5H3
InChIKeyARNKOCWFJAYATR-UHFFFAOYSA-N
XLogP9.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.66
LogP ≤ 59.18
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

4-propan-2-yldecane
CID 15038736
8-propan-2-ylpentadecane
CID 153475308
6-propan-2-yltridecane
CID 123704479
13-propylheptacosane
CID 90872787
13-propylpentacosane
CID 21183364
9-propyltricosane
CID 54290141
16-propylhexatriacontane
CID 91313942
6-propyltetracosane
CID 91039357
15-propylpentatriacontane
CID 91540514
12-propylhenpentacontane
CID 123984579
2-methyl-5-propyltridecane
CID 123255718
5-propylpentacosane
CID 91493421

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-11-propyloctadecane?
The IUPAC name of 8-propan-2-yl-11-propyloctadecane (CID 123538924) is 8-propan-2-yl-11-propyloctadecane.
What is the SMILES notation for 8-propan-2-yl-11-propyloctadecane?
The canonical SMILES for 8-propan-2-yl-11-propyloctadecane is CCCCCCCC(CCC)CCC(CCCCCCC)C(C)C.
What is the InChIKey of 8-propan-2-yl-11-propyloctadecane?
The InChIKey is ARNKOCWFJAYATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50/c1-6-9-11-13-15-18-23(17-8-3)20-21-24(22(4)5)19-16-14-12-10-7-2/h22-24H,6-21H2,1-5H3.
What are the key properties of 8-propan-2-yl-11-propyloctadecane?
8-propan-2-yl-11-propyloctadecane has a molecular weight of 338.66 g/mol, XLogP of 9.18, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-11-propyloctadecane is sourced from PubChem (CID 123538924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).