pentadeca-2,9-dien-4,6-diyne

C15H20 — CID 71346816

IUPACpentadeca-2,9-dien-4,6-diyne
SMILESCC=CC#CC#CCC=CCCCCC
InChIInChI=1S/C15H20/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3,5,12,14H,4,6,8,10,15H2,1-2H3
InChIKeyARGYHLZVOXAFDW-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.10
Rot. Bonds5

About pentadeca-2,9-dien-4,6-diyne

pentadeca-2,9-dien-4,6-diyne (PubChem CID 71346816) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is pentadeca-2,9-dien-4,6-diyne.

Molecular Properties

Compound Namepentadeca-2,9-dien-4,6-diyne
PubChem CID71346816
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Namepentadeca-2,9-dien-4,6-diyne
SMILESCC=CC#CC#CCC=CCCCCC
InChIInChI=1S/C15H20/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3,5,12,14H,4,6,8,10,15H2,1-2H3
InChIKeyARGYHLZVOXAFDW-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Octene
CID 5364448
trans-5-Decene
CID 637820
(E)-4-Undecene
CID 5358315
cis-2-Octene
CID 5356796
3-Nonene, (3Z)-
CID 5364453
7-Tetradecene
CID 5364651
1,4-Undecadiene
CID 5358328
trans-3-Octene
CID 638228
(Z)-3-Octene
CID 5362722
3-Nonene, (3E)-
CID 5364445
5-Undecene, (5E)-
CID 5364447
Cis-5-Decene
CID 5364449

Frequently Asked Questions

What is the IUPAC name of pentadeca-2,9-dien-4,6-diyne?
The IUPAC name of pentadeca-2,9-dien-4,6-diyne (CID 71346816) is pentadeca-2,9-dien-4,6-diyne.
What is the SMILES notation for pentadeca-2,9-dien-4,6-diyne?
The canonical SMILES for pentadeca-2,9-dien-4,6-diyne is CC=CC#CC#CCC=CCCCCC.
What is the InChIKey of pentadeca-2,9-dien-4,6-diyne?
The InChIKey is ARGYHLZVOXAFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3,5,12,14H,4,6,8,10,15H2,1-2H3.
What are the key properties of pentadeca-2,9-dien-4,6-diyne?
pentadeca-2,9-dien-4,6-diyne has a molecular weight of 200.32 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentadeca-2,9-dien-4,6-diyne is sourced from PubChem (CID 71346816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).