(E)-5-ethoxyhex-4-en-1-yne

C8H12O — CID 134893570

IUPAC(E)-5-ethoxyhex-4-en-1-yne
SMILESC#CC/C=C(\C)OCC
InChIInChI=1S/C8H12O/c1-4-6-7-8(3)9-5-2/h1,7H,5-6H2,2-3H3/b8-7+
InChIKeyQHYWWELERUFQDE-BQYQJAHWSA-N
MW124.18 g/mol
LogP1.95
Rot. Bonds3

About (E)-5-ethoxyhex-4-en-1-yne

(E)-5-ethoxyhex-4-en-1-yne (PubChem CID 134893570) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (E)-5-ethoxyhex-4-en-1-yne.

Molecular Properties

Compound Name(E)-5-ethoxyhex-4-en-1-yne
PubChem CID134893570
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(E)-5-ethoxyhex-4-en-1-yne
SMILESC#CC/C=C(\C)OCC
InChIInChI=1S/C8H12O/c1-4-6-7-8(3)9-5-2/h1,7H,5-6H2,2-3H3/b8-7+
InChIKeyQHYWWELERUFQDE-BQYQJAHWSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-methylhex-2-en-5-yn-1-amine
CID 103392278
2-ethoxybut-2-ene;silane
CID 174428196
(2E,5E)-2-ethoxy-6-methylocta-2,5-diene
CID 137395501
ethyl (E)-3-prop-2-ynoxybut-2-enoate
CID 134974971
(Z)-1,2-diethoxyprop-1-ene
CID 56606177
ethyl (E)-4-ethoxy-2-oxopent-3-enoate
CID 6385113
(4Z,6Z)-6-methylnona-4,6-dien-1-yne
CID 143682413
(2E,4E)-4-fluoroocta-2,4-dien-7-yn-3-amine
CID 163869241
ethyl (2E,4E)-2-methylhepta-2,4-dien-6-ynoate
CID 11816044
ethyl (Z,4R)-4-fluoro-3-methylpent-2-enoate
CID 51777340
(E)-6-ethoxy-N-ethylhept-5-enamide
CID 142914571
ethyl prop-2-ynoate
CID 12182

Frequently Asked Questions

What is the IUPAC name of (E)-5-ethoxyhex-4-en-1-yne?
The IUPAC name of (E)-5-ethoxyhex-4-en-1-yne (CID 134893570) is (E)-5-ethoxyhex-4-en-1-yne.
What is the SMILES notation for (E)-5-ethoxyhex-4-en-1-yne?
The canonical SMILES for (E)-5-ethoxyhex-4-en-1-yne is C#CC/C=C(\C)OCC.
What is the InChIKey of (E)-5-ethoxyhex-4-en-1-yne?
The InChIKey is QHYWWELERUFQDE-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H12O/c1-4-6-7-8(3)9-5-2/h1,7H,5-6H2,2-3H3/b8-7+.
What are the key properties of (E)-5-ethoxyhex-4-en-1-yne?
(E)-5-ethoxyhex-4-en-1-yne has a molecular weight of 124.18 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-ethoxyhex-4-en-1-yne is sourced from PubChem (CID 134893570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).