(E)-8-(2-methoxyethoxymethoxy)oct-2-en-6-yn-1-ol

C12H20O4 — CID 10878911

IUPAC(E)-8-(2-methoxyethoxymethoxy)oct-2-en-6-yn-1-ol
SMILESCOCCOCOCC#CCC/C=C/CO
InChIInChI=1S/C12H20O4/c1-14-10-11-16-12-15-9-7-5-3-2-4-6-8-13/h4,6,13H,2-3,8-12H2,1H3/b6-4+
InChIKeyJQSLYRAHICVROQ-GQCTYLIASA-N
MW228.29 g/mol
LogP0.96
Rot. Bonds9

About (E)-8-(2-methoxyethoxymethoxy)oct-2-en-6-yn-1-ol

(E)-8-(2-methoxyethoxymethoxy)oct-2-en-6-yn-1-ol (PubChem CID 10878911) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is (E)-8-(2-methoxyethoxymethoxy)oct-2-en-6-yn-1-ol.

Molecular Properties

Compound Name(E)-8-(2-methoxyethoxymethoxy)oct-2-en-6-yn-1-ol
PubChem CID10878911
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name(E)-8-(2-methoxyethoxymethoxy)oct-2-en-6-yn-1-ol
SMILESCOCCOCOCC#CCC/C=C/CO
InChIInChI=1S/C12H20O4/c1-14-10-11-16-12-15-9-7-5-3-2-4-6-8-13/h4,6,13H,2-3,8-12H2,1H3/b6-4+
InChIKeyJQSLYRAHICVROQ-GQCTYLIASA-N
XLogP0.96
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-8-(2-methoxyethoxymethoxy)oct-2-en-6-yn-1-ol?
The IUPAC name of (E)-8-(2-methoxyethoxymethoxy)oct-2-en-6-yn-1-ol (CID 10878911) is (E)-8-(2-methoxyethoxymethoxy)oct-2-en-6-yn-1-ol.
What is the SMILES notation for (E)-8-(2-methoxyethoxymethoxy)oct-2-en-6-yn-1-ol?
The canonical SMILES for (E)-8-(2-methoxyethoxymethoxy)oct-2-en-6-yn-1-ol is COCCOCOCC#CCC/C=C/CO.
What is the InChIKey of (E)-8-(2-methoxyethoxymethoxy)oct-2-en-6-yn-1-ol?
The InChIKey is JQSLYRAHICVROQ-GQCTYLIASA-N. The full InChI is InChI=1S/C12H20O4/c1-14-10-11-16-12-15-9-7-5-3-2-4-6-8-13/h4,6,13H,2-3,8-12H2,1H3/b6-4+.
What are the key properties of (E)-8-(2-methoxyethoxymethoxy)oct-2-en-6-yn-1-ol?
(E)-8-(2-methoxyethoxymethoxy)oct-2-en-6-yn-1-ol has a molecular weight of 228.29 g/mol, XLogP of 0.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-(2-methoxyethoxymethoxy)oct-2-en-6-yn-1-ol is sourced from PubChem (CID 10878911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).