2,14-dimethylpentadeca-4,6-diyne

C17H28 — CID 166501283

IUPAC2,14-dimethylpentadeca-4,6-diyne
SMILESCC(C)CC#CC#CCCCCCCC(C)C
InChIInChI=1S/C17H28/c1-16(2)14-12-10-8-6-5-7-9-11-13-15-17(3)4/h16-17H,5-6,8,10,12,14-15H2,1-4H3
InChIKeyPUDHKHURPWHETI-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.04
Rot. Bonds7

About 2,14-dimethylpentadeca-4,6-diyne

2,14-dimethylpentadeca-4,6-diyne (PubChem CID 166501283) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 2,14-dimethylpentadeca-4,6-diyne.

Molecular Properties

Compound Name2,14-dimethylpentadeca-4,6-diyne
PubChem CID166501283
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name2,14-dimethylpentadeca-4,6-diyne
SMILESCC(C)CC#CC#CCCCCCCC(C)C
InChIInChI=1S/C17H28/c1-16(2)14-12-10-8-6-5-7-9-11-13-15-17(3)4/h16-17H,5-6,8,10,12,14-15H2,1-4H3
InChIKeyPUDHKHURPWHETI-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 159869544

Frequently Asked Questions

What is the IUPAC name of 2,14-dimethylpentadeca-4,6-diyne?
The IUPAC name of 2,14-dimethylpentadeca-4,6-diyne (CID 166501283) is 2,14-dimethylpentadeca-4,6-diyne.
What is the SMILES notation for 2,14-dimethylpentadeca-4,6-diyne?
The canonical SMILES for 2,14-dimethylpentadeca-4,6-diyne is CC(C)CC#CC#CCCCCCCC(C)C.
What is the InChIKey of 2,14-dimethylpentadeca-4,6-diyne?
The InChIKey is PUDHKHURPWHETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-16(2)14-12-10-8-6-5-7-9-11-13-15-17(3)4/h16-17H,5-6,8,10,12,14-15H2,1-4H3.
What are the key properties of 2,14-dimethylpentadeca-4,6-diyne?
2,14-dimethylpentadeca-4,6-diyne has a molecular weight of 232.41 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,14-dimethylpentadeca-4,6-diyne is sourced from PubChem (CID 166501283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).