5-ethylundeca-1,6-diyne

C13H20 — CID 173151584

IUPAC5-ethylundeca-1,6-diyne
SMILESC#CCCC(C#CCCCC)CC
InChIInChI=1S/C13H20/c1-4-7-9-10-12-13(6-3)11-8-5-2/h2,13H,4,6-9,11H2,1,3H3
InChIKeyLOGWPBIMVQLJLY-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.62
Rot. Bonds5

About 5-ethylundeca-1,6-diyne

5-ethylundeca-1,6-diyne (PubChem CID 173151584) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 5-ethylundeca-1,6-diyne.

Molecular Properties

Compound Name5-ethylundeca-1,6-diyne
PubChem CID173151584
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name5-ethylundeca-1,6-diyne
SMILESC#CCCC(C#CCCCC)CC
InChIInChI=1S/C13H20/c1-4-7-9-10-12-13(6-3)11-8-5-2/h2,13H,4,6-9,11H2,1,3H3
InChIKeyLOGWPBIMVQLJLY-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.62
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'}

Analyze 5-ethylundeca-1,6-diyne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-ethylpentadeca-1,8-diyne
CID 91350029
hex-1-yne;1-iodohex-1-yne
CID 162160797
icosa-6,15-diyn-5-ol
CID 18710567
dodec-1-yne-5,8-diol
CID 87593549
nona-3,8-diyn-2-ol
CID 14359838
2-ethylhept-6-ynenitrile
CID 25268245
3-ethyldec-5-yn-4-ol
CID 100982942
hex-1-yne;iodocopper
CID 135050034
tetracos-13-yn-12-ol
CID 169488986
heptacos-10-yn-9-ol
CID 11058298
(5S,6S)-hexadec-1-yne-5,6-diol
CID 11196120
tetradeca-4,9-diyne
CID 173328648

Frequently Asked Questions

What is the IUPAC name of 5-ethylundeca-1,6-diyne?
The IUPAC name of 5-ethylundeca-1,6-diyne (CID 173151584) is 5-ethylundeca-1,6-diyne.
What is the SMILES notation for 5-ethylundeca-1,6-diyne?
The canonical SMILES for 5-ethylundeca-1,6-diyne is C#CCCC(C#CCCCC)CC.
What is the InChIKey of 5-ethylundeca-1,6-diyne?
The InChIKey is LOGWPBIMVQLJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-4-7-9-10-12-13(6-3)11-8-5-2/h2,13H,4,6-9,11H2,1,3H3.
What are the key properties of 5-ethylundeca-1,6-diyne?
5-ethylundeca-1,6-diyne has a molecular weight of 176.30 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylundeca-1,6-diyne is sourced from PubChem (CID 173151584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).