3-ethylnon-1-en-8-yne

C11H18 — CID 123457209

IUPAC3-ethylnon-1-en-8-yne
SMILESC#CCCCCC(C=C)CC
InChIInChI=1S/C11H18/c1-4-7-8-9-10-11(5-2)6-3/h1,5,11H,2,6-10H2,3H3
InChIKeyIYJGIBJEQSQHKP-UHFFFAOYSA-N
MW150.27 g/mol
LogP3.39
Rot. Bonds6

About 3-ethylnon-1-en-8-yne

3-ethylnon-1-en-8-yne (PubChem CID 123457209) has the molecular formula C11H18 and a molecular weight of 150.27 g/mol. Its IUPAC name is 3-ethylnon-1-en-8-yne.

Molecular Properties

Compound Name3-ethylnon-1-en-8-yne
PubChem CID123457209
Molecular FormulaC11H18
Molecular Weight150.27 g/mol
Exact Mass150.14
IUPAC Name3-ethylnon-1-en-8-yne
SMILESC#CCCCCC(C=C)CC
InChIInChI=1S/C11H18/c1-4-7-8-9-10-11(5-2)6-3/h1,5,11H,2,6-10H2,3H3
InChIKeyIYJGIBJEQSQHKP-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 53.39
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

(3R)-3-ethyloct-1-ene
CID 50898077
3-ethylhept-1-ene
CID 12923943
12-methyltridec-1-yne
CID 10921423
(3R)-3-ethylpent-4-en-1-amine
CID 122576147
10-ethenylnonadecane
CID 57244946
N-but-3-en-2-ylhex-5-yn-1-amine
CID 106211402
3-ethyltetradeca-1,7-diene
CID 173182513
ethane;9-ethenylheptadecane;octane
CID 168985515
dec-9-yn-4-amine
CID 64505072
11-chlorohexadec-1-yne
CID 171573932
N-ethyloct-7-yn-2-amine
CID 64503782
6-formyloctanenitrile
CID 20570606

Frequently Asked Questions

What is the IUPAC name of 3-ethylnon-1-en-8-yne?
The IUPAC name of 3-ethylnon-1-en-8-yne (CID 123457209) is 3-ethylnon-1-en-8-yne.
What is the SMILES notation for 3-ethylnon-1-en-8-yne?
The canonical SMILES for 3-ethylnon-1-en-8-yne is C#CCCCCC(C=C)CC.
What is the InChIKey of 3-ethylnon-1-en-8-yne?
The InChIKey is IYJGIBJEQSQHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-4-7-8-9-10-11(5-2)6-3/h1,5,11H,2,6-10H2,3H3.
What are the key properties of 3-ethylnon-1-en-8-yne?
3-ethylnon-1-en-8-yne has a molecular weight of 150.27 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylnon-1-en-8-yne is sourced from PubChem (CID 123457209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).