2,2,5,8-tetramethylnon-3-yne

C13H24 — CID 170609135

IUPAC2,2,5,8-tetramethylnon-3-yne
SMILESCC(C)CCC(C)C#CC(C)(C)C
InChIInChI=1S/C13H24/c1-11(2)7-8-12(3)9-10-13(4,5)6/h11-12H,7-8H2,1-6H3
InChIKeyLINVKXIUTWPIEH-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.11
Rot. Bonds3

About 2,2,5,8-tetramethylnon-3-yne

2,2,5,8-tetramethylnon-3-yne (PubChem CID 170609135) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 2,2,5,8-tetramethylnon-3-yne.

Molecular Properties

Compound Name2,2,5,8-tetramethylnon-3-yne
PubChem CID170609135
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name2,2,5,8-tetramethylnon-3-yne
SMILESCC(C)CCC(C)C#CC(C)(C)C
InChIInChI=1S/C13H24/c1-11(2)7-8-12(3)9-10-13(4,5)6/h11-12H,7-8H2,1-6H3
InChIKeyLINVKXIUTWPIEH-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,8-tetramethylnon-3-yne?
The IUPAC name of 2,2,5,8-tetramethylnon-3-yne (CID 170609135) is 2,2,5,8-tetramethylnon-3-yne.
What is the SMILES notation for 2,2,5,8-tetramethylnon-3-yne?
The canonical SMILES for 2,2,5,8-tetramethylnon-3-yne is CC(C)CCC(C)C#CC(C)(C)C.
What is the InChIKey of 2,2,5,8-tetramethylnon-3-yne?
The InChIKey is LINVKXIUTWPIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-11(2)7-8-12(3)9-10-13(4,5)6/h11-12H,7-8H2,1-6H3.
What are the key properties of 2,2,5,8-tetramethylnon-3-yne?
2,2,5,8-tetramethylnon-3-yne has a molecular weight of 180.33 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,8-tetramethylnon-3-yne is sourced from PubChem (CID 170609135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).