trideca-1,4-dien-7,9-diyne

C13H16 — CID 163088238

IUPACtrideca-1,4-dien-7,9-diyne
SMILESC=CCC=CCC#CC#CCCC
InChIInChI=1S/C13H16/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,7,9H,1,4-6,11H2,2H3
InChIKeyMFZNVKQCISUNOK-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.32
Rot. Bonds4

About trideca-1,4-dien-7,9-diyne

trideca-1,4-dien-7,9-diyne (PubChem CID 163088238) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is trideca-1,4-dien-7,9-diyne.

Molecular Properties

Compound Nametrideca-1,4-dien-7,9-diyne
PubChem CID163088238
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Nametrideca-1,4-dien-7,9-diyne
SMILESC=CCC=CCC#CC#CCCC
InChIInChI=1S/C13H16/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,7,9H,1,4-6,11H2,2H3
InChIKeyMFZNVKQCISUNOK-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.32
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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Related Compounds

1-Propene, tetramer
CID 22833307
5-Undecen-3-yne
CID 5367385
trans-5-Dodecen-7-yne
CID 5358334
Aethusin
CID 5281130
Npc69930
CID 5358333
(3E)-4-Ethyl-3-nonen-5-yne
CID 5368780
(Z)-dodec-5-en-7-yne
CID 5367447
(3E,6Z,9Z,12Z)-3,6,9,12-Pentadecatetraen-1-yne
CID 15512554
1-Cycloocten-5-yne
CID 5324270
4-Nonen-2-yne, (E)-
CID 5365537
(E)-5-Undecen-3-yne
CID 53083
3-Octen-5-yne, 2,7-dimethyl-, (Z)-
CID 5368770

Frequently Asked Questions

What is the IUPAC name of trideca-1,4-dien-7,9-diyne?
The IUPAC name of trideca-1,4-dien-7,9-diyne (CID 163088238) is trideca-1,4-dien-7,9-diyne.
What is the SMILES notation for trideca-1,4-dien-7,9-diyne?
The canonical SMILES for trideca-1,4-dien-7,9-diyne is C=CCC=CCC#CC#CCCC.
What is the InChIKey of trideca-1,4-dien-7,9-diyne?
The InChIKey is MFZNVKQCISUNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,7,9H,1,4-6,11H2,2H3.
What are the key properties of trideca-1,4-dien-7,9-diyne?
trideca-1,4-dien-7,9-diyne has a molecular weight of 172.27 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trideca-1,4-dien-7,9-diyne is sourced from PubChem (CID 163088238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).