pentadeca-3,6,9,12-tetraen-1-yne

C15H20 — CID 73196966

IUPACpentadeca-3,6,9,12-tetraen-1-yne
SMILESC#CC=CCC=CCC=CCC=CCC
InChIInChI=1S/C15H20/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h1,5-8,11-14H,4,9-10,15H2,2H3
InChIKeyUXCPLHLHLSGSJK-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.42
Rot. Bonds7

About pentadeca-3,6,9,12-tetraen-1-yne

pentadeca-3,6,9,12-tetraen-1-yne (PubChem CID 73196966) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is pentadeca-3,6,9,12-tetraen-1-yne.

Molecular Properties

Compound Namepentadeca-3,6,9,12-tetraen-1-yne
PubChem CID73196966
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Namepentadeca-3,6,9,12-tetraen-1-yne
SMILESC#CC=CCC=CCC=CCC=CCC
InChIInChI=1S/C15H20/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h1,5-8,11-14H,4,9-10,15H2,2H3
InChIKeyUXCPLHLHLSGSJK-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentadeca-3,6,9,12-tetraen-1-yne?
The IUPAC name of pentadeca-3,6,9,12-tetraen-1-yne (CID 73196966) is pentadeca-3,6,9,12-tetraen-1-yne.
What is the SMILES notation for pentadeca-3,6,9,12-tetraen-1-yne?
The canonical SMILES for pentadeca-3,6,9,12-tetraen-1-yne is C#CC=CCC=CCC=CCC=CCC.
What is the InChIKey of pentadeca-3,6,9,12-tetraen-1-yne?
The InChIKey is UXCPLHLHLSGSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h1,5-8,11-14H,4,9-10,15H2,2H3.
What are the key properties of pentadeca-3,6,9,12-tetraen-1-yne?
pentadeca-3,6,9,12-tetraen-1-yne has a molecular weight of 200.32 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentadeca-3,6,9,12-tetraen-1-yne is sourced from PubChem (CID 73196966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).