(E)-4-ethylnon-3-en-5-yne

C11H18 — CID 5368780

IUPAC(E)-4-ethylnon-3-en-5-yne
SMILESCC/C=C(/C#CCCC)CC
InChIInChI=1S/C11H18/c1-4-7-8-10-11(6-3)9-5-2/h9H,4-7H2,1-3H3/b11-9+
InChIKeyWINAGOYHXUXSTM-PKNBQFBNSA-N
MW150.26 g/mol
LogP3.54
Rot. Bonds3

About (E)-4-ethylnon-3-en-5-yne

(E)-4-ethylnon-3-en-5-yne (PubChem CID 5368780) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is (E)-4-ethylnon-3-en-5-yne.

Molecular Properties

Compound Name(E)-4-ethylnon-3-en-5-yne
PubChem CID5368780
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name(E)-4-ethylnon-3-en-5-yne
SMILESCC/C=C(/C#CCCC)CC
InChIInChI=1S/C11H18/c1-4-7-8-10-11(6-3)9-5-2/h9H,4-7H2,1-3H3/b11-9+
InChIKeyWINAGOYHXUXSTM-PKNBQFBNSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.54
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

(E)-2-ethylpent-2-enenitrile
CID 5358335
2-methylpropane;(Z)-4-propylhept-4-en-2-yne
CID 144516980
hex-2-ynethioic S-acid
CID 57208590
6-methylidenenon-4-yne
CID 15584278
2,2-dimethyloct-4-yn-3-one
CID 14044073
6-butylideneundeca-4,7-diyne-1,11-diol
CID 134987425
2-hydroxy-2-methyloct-4-yn-3-one
CID 101429118
3-ethyl-N-methylhex-2-en-4-yn-1-amine
CID 123486240
methyl (E)-3-methyloct-2-en-4-ynoate
CID 135083767
methyl(pent-1-ynyl)silane
CID 172687235
(3E,5E)-4,5-diethylocta-3,5-diene
CID 5368963
(Z)-oct-2-en-4-yn-1-ol;(E)-oct-2-en-4-yn-1-ol
CID 44889177

Frequently Asked Questions

What is the IUPAC name of (E)-4-ethylnon-3-en-5-yne?
The IUPAC name of (E)-4-ethylnon-3-en-5-yne (CID 5368780) is (E)-4-ethylnon-3-en-5-yne.
What is the SMILES notation for (E)-4-ethylnon-3-en-5-yne?
The canonical SMILES for (E)-4-ethylnon-3-en-5-yne is CC/C=C(/C#CCCC)CC.
What is the InChIKey of (E)-4-ethylnon-3-en-5-yne?
The InChIKey is WINAGOYHXUXSTM-PKNBQFBNSA-N. The full InChI is InChI=1S/C11H18/c1-4-7-8-10-11(6-3)9-5-2/h9H,4-7H2,1-3H3/b11-9+.
What are the key properties of (E)-4-ethylnon-3-en-5-yne?
(E)-4-ethylnon-3-en-5-yne has a molecular weight of 150.26 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethylnon-3-en-5-yne is sourced from PubChem (CID 5368780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).