3,3,19,19-tetramethylhenicosane

C25H52 — CID 123780647

IUPAC3,3,19,19-tetramethylhenicosane
SMILESCCC(C)(C)CCCCCCCCCCCCCCCC(C)(C)CC
InChIInChI=1S/C25H52/c1-7-24(3,4)22-20-18-16-14-12-10-9-11-13-15-17-19-21-23-25(5,6)8-2/h7-23H2,1-6H3
InChIKeyNMLDZKAWDBPTIO-UHFFFAOYSA-N
MW352.69 g/mol
LogP9.71
Rot. Bonds18

About 3,3,19,19-tetramethylhenicosane

3,3,19,19-tetramethylhenicosane (PubChem CID 123780647) has the molecular formula C25H52 and a molecular weight of 352.69 g/mol. Its IUPAC name is 3,3,19,19-tetramethylhenicosane.

Molecular Properties

Compound Name3,3,19,19-tetramethylhenicosane
PubChem CID123780647
Molecular FormulaC25H52
Molecular Weight352.69 g/mol
Exact Mass352.41
IUPAC Name3,3,19,19-tetramethylhenicosane
SMILESCCC(C)(C)CCCCCCCCCCCCCCCC(C)(C)CC
InChIInChI=1S/C25H52/c1-7-24(3,4)22-20-18-16-14-12-10-9-11-13-15-17-19-21-23-25(5,6)8-2/h7-23H2,1-6H3
InChIKeyNMLDZKAWDBPTIO-UHFFFAOYSA-N
XLogP9.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.69
LogP ≤ 59.71
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 3,3,19,19-tetramethylhenicosane?
The IUPAC name of 3,3,19,19-tetramethylhenicosane (CID 123780647) is 3,3,19,19-tetramethylhenicosane.
What is the SMILES notation for 3,3,19,19-tetramethylhenicosane?
The canonical SMILES for 3,3,19,19-tetramethylhenicosane is CCC(C)(C)CCCCCCCCCCCCCCCC(C)(C)CC.
What is the InChIKey of 3,3,19,19-tetramethylhenicosane?
The InChIKey is NMLDZKAWDBPTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52/c1-7-24(3,4)22-20-18-16-14-12-10-9-11-13-15-17-19-21-23-25(5,6)8-2/h7-23H2,1-6H3.
What are the key properties of 3,3,19,19-tetramethylhenicosane?
3,3,19,19-tetramethylhenicosane has a molecular weight of 352.69 g/mol, XLogP of 9.71, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,19,19-tetramethylhenicosane is sourced from PubChem (CID 123780647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).