2,2,3,10-tetramethyldodecane

C₁₆H₃₄ — CID 123238890

About 2,2,3,10-tetramethyldodecane

2,2,3,10-tetramethyldodecane (PubChem CID 123238890) has the molecular formula C₁₆H₃₄ and a molecular weight of 226.45 g/mol. Its IUPAC name is 2,2,3,10-tetramethyldodecane.

Molecular Properties

• Compound Name: 2,2,3,10-tetramethyldodecane
• PubChem CID: 123238890
• Molecular Formula: C₁₆H₃₄
• Molecular Weight: 226.45 g/mol
• Exact Mass: 226.27
• IUPAC Name: 2,2,3,10-tetramethyldodecane
• SMILES: CCC(C)CCCCCCC(C)C(C)(C)C
• InChI: InChI=1S/C16H34/c1-7-14(2)12-10-8-9-11-13-15(3)16(4,5)6/h14-15H,7-13H2,1-6H3
• InChIKey: VMNHRBROUHLZNM-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	226.45
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2,3,10-tetramethyldodecane?

The IUPAC name of 2,2,3,10-tetramethyldodecane (CID 123238890) is 2,2,3,10-tetramethyldodecane.

What is the SMILES notation for 2,2,3,10-tetramethyldodecane?

The canonical SMILES for 2,2,3,10-tetramethyldodecane is CCC(C)CCCCCCC(C)C(C)(C)C.

What is the InChIKey of 2,2,3,10-tetramethyldodecane?

The InChIKey is VMNHRBROUHLZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-7-14(2)12-10-8-9-11-13-15(3)16(4,5)6/h14-15H,7-13H2,1-6H3.

What are the key properties of 2,2,3,10-tetramethyldodecane?

2,2,3,10-tetramethyldodecane has a molecular weight of 226.45 g/mol, XLogP of 6.06, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,3,10-tetramethyldodecane is sourced from PubChem (CID 123238890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123238890 — identifiers, structure, computed properties (public domain)

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