6-but-2-ynylundeca-3,7-diyne

C15H20 — CID 173369123

IUPAC6-but-2-ynylundeca-3,7-diyne
SMILESCC#CCC(C#CCCC)CC#CCC
InChIInChI=1S/C15H20/c1-4-7-10-13-15(12-9-6-3)14-11-8-5-2/h15H,4-5,7,12,14H2,1-3H3
InChIKeyMLDJIHYKLGYGRI-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.62
Rot. Bonds3

About 6-but-2-ynylundeca-3,7-diyne

6-but-2-ynylundeca-3,7-diyne (PubChem CID 173369123) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 6-but-2-ynylundeca-3,7-diyne.

Molecular Properties

Compound Name6-but-2-ynylundeca-3,7-diyne
PubChem CID173369123
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name6-but-2-ynylundeca-3,7-diyne
SMILESCC#CCC(C#CCCC)CC#CCC
InChIInChI=1S/C15H20/c1-4-7-10-13-15(12-9-6-3)14-11-8-5-2/h15H,4-5,7,12,14H2,1-3H3
InChIKeyMLDJIHYKLGYGRI-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-ethynylnon-3-yne
CID 173201509
undeca-4,7-diyn-6-ol
CID 15932781
1,1-dichlorohex-2-yne
CID 15164826
ethane;pent-2-yne
CID 165013869
5-methyldec-2-yne
CID 123137081
2-methyl-3-propan-2-yloct-4-yne
CID 123901485
(2S)-oct-4-yn-2-ol
CID 40565463
(2R)-hept-3-yn-2-ol
CID 11457676
butane;hex-2-yne-1,1-diol
CID 87306725
(2S)-hept-4-yn-2-ol
CID 7568791
5-ethylhept-2-yne
CID 54215545
5-propyldec-2-yne
CID 173381236

Frequently Asked Questions

What is the IUPAC name of 6-but-2-ynylundeca-3,7-diyne?
The IUPAC name of 6-but-2-ynylundeca-3,7-diyne (CID 173369123) is 6-but-2-ynylundeca-3,7-diyne.
What is the SMILES notation for 6-but-2-ynylundeca-3,7-diyne?
The canonical SMILES for 6-but-2-ynylundeca-3,7-diyne is CC#CCC(C#CCCC)CC#CCC.
What is the InChIKey of 6-but-2-ynylundeca-3,7-diyne?
The InChIKey is MLDJIHYKLGYGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-4-7-10-13-15(12-9-6-3)14-11-8-5-2/h15H,4-5,7,12,14H2,1-3H3.
What are the key properties of 6-but-2-ynylundeca-3,7-diyne?
6-but-2-ynylundeca-3,7-diyne has a molecular weight of 200.32 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-2-ynylundeca-3,7-diyne is sourced from PubChem (CID 173369123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).