(4E)-6-methoxy-3-(methoxymethoxy)cyclooct-4-en-1-ol

C11H20O4 — CID 166982109

IUPAC(4E)-6-methoxy-3-(methoxymethoxy)cyclooct-4-en-1-ol
SMILESCOCOC1/C=C\C(OC)CCC(O)C1
InChIInChI=1S/C11H20O4/c1-13-8-15-11-6-5-10(14-2)4-3-9(12)7-11/h5-6,9-12H,3-4,7-8H2,1-2H3/b6-5-
InChIKeySTDSOTNAOUIISY-WAYWQWQTSA-N
MW216.28 g/mol
LogP1.09
Rot. Bonds4

About (4E)-6-methoxy-3-(methoxymethoxy)cyclooct-4-en-1-ol

(4E)-6-methoxy-3-(methoxymethoxy)cyclooct-4-en-1-ol (PubChem CID 166982109) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (4E)-6-methoxy-3-(methoxymethoxy)cyclooct-4-en-1-ol.

Molecular Properties

Compound Name(4E)-6-methoxy-3-(methoxymethoxy)cyclooct-4-en-1-ol
PubChem CID166982109
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(4E)-6-methoxy-3-(methoxymethoxy)cyclooct-4-en-1-ol
SMILESCOCOC1/C=C\C(OC)CCC(O)C1
InChIInChI=1S/C11H20O4/c1-13-8-15-11-6-5-10(14-2)4-3-9(12)7-11/h5-6,9-12H,3-4,7-8H2,1-2H3/b6-5-
InChIKeySTDSOTNAOUIISY-WAYWQWQTSA-N
XLogP1.09
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.09
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'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-6-methoxy-3-(methoxymethoxy)cyclooct-4-en-1-ol?
The IUPAC name of (4E)-6-methoxy-3-(methoxymethoxy)cyclooct-4-en-1-ol (CID 166982109) is (4E)-6-methoxy-3-(methoxymethoxy)cyclooct-4-en-1-ol.
What is the SMILES notation for (4E)-6-methoxy-3-(methoxymethoxy)cyclooct-4-en-1-ol?
The canonical SMILES for (4E)-6-methoxy-3-(methoxymethoxy)cyclooct-4-en-1-ol is COCOC1/C=C\C(OC)CCC(O)C1.
What is the InChIKey of (4E)-6-methoxy-3-(methoxymethoxy)cyclooct-4-en-1-ol?
The InChIKey is STDSOTNAOUIISY-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H20O4/c1-13-8-15-11-6-5-10(14-2)4-3-9(12)7-11/h5-6,9-12H,3-4,7-8H2,1-2H3/b6-5-.
What are the key properties of (4E)-6-methoxy-3-(methoxymethoxy)cyclooct-4-en-1-ol?
(4E)-6-methoxy-3-(methoxymethoxy)cyclooct-4-en-1-ol has a molecular weight of 216.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-6-methoxy-3-(methoxymethoxy)cyclooct-4-en-1-ol is sourced from PubChem (CID 166982109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).