16,16,21,21-tetramethylhexatriacontane

C40H82 — CID 174880889

IUPAC16,16,21,21-tetramethylhexatriacontane
SMILESCCCCCCCCCCCCCCCC(C)(C)CCCCC(C)(C)CCCCCCCCCCCCCCC
InChIInChI=1S/C40H82/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39(3,4)37-33-34-38-40(5,6)36-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h7-38H2,1-6H3
InChIKeyDFGZHFDHOHGLNW-UHFFFAOYSA-N
MW563.10 g/mol
LogP15.56
Rot. Bonds33

About 16,16,21,21-tetramethylhexatriacontane

16,16,21,21-tetramethylhexatriacontane (PubChem CID 174880889) has the molecular formula C40H82 and a molecular weight of 563.10 g/mol. Its IUPAC name is 16,16,21,21-tetramethylhexatriacontane.

Molecular Properties

Compound Name16,16,21,21-tetramethylhexatriacontane
PubChem CID174880889
Molecular FormulaC40H82
Molecular Weight563.10 g/mol
Exact Mass562.64
IUPAC Name16,16,21,21-tetramethylhexatriacontane
SMILESCCCCCCCCCCCCCCCC(C)(C)CCCCC(C)(C)CCCCCCCCCCCCCCC
InChIInChI=1S/C40H82/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39(3,4)37-33-34-38-40(5,6)36-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h7-38H2,1-6H3
InChIKeyDFGZHFDHOHGLNW-UHFFFAOYSA-N
XLogP15.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds33
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.10
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 16,16,21,21-tetramethylhexatriacontane with MolForge

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

Launch Full Analysis

Related Compounds

4,4-dimethyltridecan-1-amine
CID 172686024
3,3-dimethylpentadecane
CID 86034940
3,3-dimethyldodecane
CID 15930786
3,3-dimethylpentadecan-1-amine
CID 81014127
7,7-dimethyldocosan-1-ol
CID 150860437
1-(3,3-dimethylnonoxy)-3,3-dimethylnonane
CID 174611784
2,2-dimethyldecan-1-ol
CID 520069
2,2-dimethyloctan-1-amine
CID 62739423
1-bromo-2,2-dimethyldecane
CID 66048838
3,3-dimethyloctan-1-ol
CID 18704344
decan-1-ol;8,8-dimethylundecan-1-ol
CID 162145912
15,15-dimethylnonacosan-10-amine
CID 175397632

Frequently Asked Questions

What is the IUPAC name of 16,16,21,21-tetramethylhexatriacontane?
The IUPAC name of 16,16,21,21-tetramethylhexatriacontane (CID 174880889) is 16,16,21,21-tetramethylhexatriacontane.
What is the SMILES notation for 16,16,21,21-tetramethylhexatriacontane?
The canonical SMILES for 16,16,21,21-tetramethylhexatriacontane is CCCCCCCCCCCCCCCC(C)(C)CCCCC(C)(C)CCCCCCCCCCCCCCC.
What is the InChIKey of 16,16,21,21-tetramethylhexatriacontane?
The InChIKey is DFGZHFDHOHGLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H82/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39(3,4)37-33-34-38-40(5,6)36-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h7-38H2,1-6H3.
What are the key properties of 16,16,21,21-tetramethylhexatriacontane?
16,16,21,21-tetramethylhexatriacontane has a molecular weight of 563.10 g/mol, XLogP of 15.56, 33 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 16,16,21,21-tetramethylhexatriacontane is sourced from PubChem (CID 174880889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).