tetradeca-4,9-diyne

C14H22 — CID 173328648

IUPACtetradeca-4,9-diyne
SMILESCCCC#CCCCC#CCCCC
InChIInChI=1S/C14H22/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-7,12-14H2,1-2H3
InChIKeyXYAUOVNBILQDQI-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.15
Rot. Bonds5

About tetradeca-4,9-diyne

tetradeca-4,9-diyne (PubChem CID 173328648) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is tetradeca-4,9-diyne.

Molecular Properties

Compound Nametetradeca-4,9-diyne
PubChem CID173328648
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Nametetradeca-4,9-diyne
SMILESCCCC#CCCCC#CCCCC
InChIInChI=1S/C14H22/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-7,12-14H2,1-2H3
InChIKeyXYAUOVNBILQDQI-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.15
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

pentadeca-5,10-diyne
CID 15530767
dodeca-4,7-diyne
CID 173074460
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
pentadeca-5,10-diyn-1-ol
CID 560933
methane;bis(oct-3-yne)
CID 159540057
heptadeca-4,7,10-triyne
CID 171715223
1-chloropentadeca-5,10-diyne
CID 560942
henicos-8-yne
CID 22224321
2-tetradeca-4,9-diynylpropanedinitrile
CID 10923092
oct-3-yne-1-thiol
CID 150444004
trideca-2,8-diyne
CID 90921383

Frequently Asked Questions

What is the IUPAC name of tetradeca-4,9-diyne?
The IUPAC name of tetradeca-4,9-diyne (CID 173328648) is tetradeca-4,9-diyne.
What is the SMILES notation for tetradeca-4,9-diyne?
The canonical SMILES for tetradeca-4,9-diyne is CCCC#CCCCC#CCCCC.
What is the InChIKey of tetradeca-4,9-diyne?
The InChIKey is XYAUOVNBILQDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-7,12-14H2,1-2H3.
What are the key properties of tetradeca-4,9-diyne?
tetradeca-4,9-diyne has a molecular weight of 190.33 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetradeca-4,9-diyne is sourced from PubChem (CID 173328648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).