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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Related Compounds

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N,N,8,8-tetramethyldecan-1-amine
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16,16,21,21-tetramethylhexatriacontane
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N-(5,5-dimethylheptyl)hydroxylamine
CID 143799297
3,3-dimethylhexane
CID 11233
3,3-dimethylheptane;ethane-1,2-diol
CID 90284341
2,2,16,16-tetramethylheptadecane-1,9,17-triol;2,2,18,18-tetramethylicosane-1,10-diol
CID 159939869
N,8,8-trimethyldecanamide
CID 89097634
1-ethoxy-4,4-dimethylhexane
CID 89037329

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).