2,2-dimethyloctadecane

C20H42 — CID 23085459

IUPAC2,2-dimethyloctadecane
SMILESCCCCCCCCCCCCCCCCC(C)(C)C
InChIInChI=1S/C20H42/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3
InChIKeyXZFFGCIQYXSUJJ-UHFFFAOYSA-N
MW282.56 g/mol
LogP7.90
Rot. Bonds14

About 2,2-dimethyloctadecane

2,2-dimethyloctadecane (PubChem CID 23085459) has the molecular formula C20H42 and a molecular weight of 282.56 g/mol. Its IUPAC name is 2,2-dimethyloctadecane.

Molecular Properties

Compound Name2,2-dimethyloctadecane
PubChem CID23085459
Molecular FormulaC20H42
Molecular Weight282.56 g/mol
Exact Mass282.33
IUPAC Name2,2-dimethyloctadecane
SMILESCCCCCCCCCCCCCCCCC(C)(C)C
InChIInChI=1S/C20H42/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3
InChIKeyXZFFGCIQYXSUJJ-UHFFFAOYSA-N
XLogP7.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.56
LogP ≤ 57.90
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 2,2-dimethyloctadecane?
The IUPAC name of 2,2-dimethyloctadecane (CID 23085459) is 2,2-dimethyloctadecane.
What is the SMILES notation for 2,2-dimethyloctadecane?
The canonical SMILES for 2,2-dimethyloctadecane is CCCCCCCCCCCCCCCCC(C)(C)C.
What is the InChIKey of 2,2-dimethyloctadecane?
The InChIKey is XZFFGCIQYXSUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3.
What are the key properties of 2,2-dimethyloctadecane?
2,2-dimethyloctadecane has a molecular weight of 282.56 g/mol, XLogP of 7.90, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyloctadecane is sourced from PubChem (CID 23085459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).