(Z)-8-ethoxy-6-(methoxymethoxy)oct-2-en-7-yn-1-ol

C12H20O4 — CID 134874379

IUPAC(Z)-8-ethoxy-6-(methoxymethoxy)oct-2-en-7-yn-1-ol
SMILESCCOC#CC(CC/C=C\CO)OCOC
InChIInChI=1S/C12H20O4/c1-3-15-10-8-12(16-11-14-2)7-5-4-6-9-13/h4,6,12-13H,3,5,7,9,11H2,1-2H3/b6-4-
InChIKeyCTRZKXJURKSFGE-XQRVVYSFSA-N
MW228.29 g/mol
LogP1.30
Rot. Bonds8

About (Z)-8-ethoxy-6-(methoxymethoxy)oct-2-en-7-yn-1-ol

(Z)-8-ethoxy-6-(methoxymethoxy)oct-2-en-7-yn-1-ol (PubChem CID 134874379) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is (Z)-8-ethoxy-6-(methoxymethoxy)oct-2-en-7-yn-1-ol.

Molecular Properties

Compound Name(Z)-8-ethoxy-6-(methoxymethoxy)oct-2-en-7-yn-1-ol
PubChem CID134874379
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name(Z)-8-ethoxy-6-(methoxymethoxy)oct-2-en-7-yn-1-ol
SMILESCCOC#CC(CC/C=C\CO)OCOC
InChIInChI=1S/C12H20O4/c1-3-15-10-8-12(16-11-14-2)7-5-4-6-9-13/h4,6,12-13H,3,5,7,9,11H2,1-2H3/b6-4-
InChIKeyCTRZKXJURKSFGE-XQRVVYSFSA-N
XLogP1.30
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 (Z)-8-ethoxy-6-(methoxymethoxy)oct-2-en-7-yn-1-ol?
The IUPAC name of (Z)-8-ethoxy-6-(methoxymethoxy)oct-2-en-7-yn-1-ol (CID 134874379) is (Z)-8-ethoxy-6-(methoxymethoxy)oct-2-en-7-yn-1-ol.
What is the SMILES notation for (Z)-8-ethoxy-6-(methoxymethoxy)oct-2-en-7-yn-1-ol?
The canonical SMILES for (Z)-8-ethoxy-6-(methoxymethoxy)oct-2-en-7-yn-1-ol is CCOC#CC(CC/C=C\CO)OCOC.
What is the InChIKey of (Z)-8-ethoxy-6-(methoxymethoxy)oct-2-en-7-yn-1-ol?
The InChIKey is CTRZKXJURKSFGE-XQRVVYSFSA-N. The full InChI is InChI=1S/C12H20O4/c1-3-15-10-8-12(16-11-14-2)7-5-4-6-9-13/h4,6,12-13H,3,5,7,9,11H2,1-2H3/b6-4-.
What are the key properties of (Z)-8-ethoxy-6-(methoxymethoxy)oct-2-en-7-yn-1-ol?
(Z)-8-ethoxy-6-(methoxymethoxy)oct-2-en-7-yn-1-ol has a molecular weight of 228.29 g/mol, XLogP of 1.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-ethoxy-6-(methoxymethoxy)oct-2-en-7-yn-1-ol is sourced from PubChem (CID 134874379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).