(E)-5-(2-methoxyethoxymethoxy)hex-2-en-1-ol

C10H20O4 — CID 11356172

IUPAC(E)-5-(2-methoxyethoxymethoxy)hex-2-en-1-ol
SMILESCOCCOCOC(C)C/C=C/CO
InChIInChI=1S/C10H20O4/c1-10(5-3-4-6-11)14-9-13-8-7-12-2/h3-4,10-11H,5-9H2,1-2H3/b4-3+
InChIKeyAVRORQRLURGDEP-ONEGZZNKSA-N
MW204.27 g/mol
LogP0.95
Rot. Bonds9

About (E)-5-(2-methoxyethoxymethoxy)hex-2-en-1-ol

(E)-5-(2-methoxyethoxymethoxy)hex-2-en-1-ol (PubChem CID 11356172) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is (E)-5-(2-methoxyethoxymethoxy)hex-2-en-1-ol.

Molecular Properties

Compound Name(E)-5-(2-methoxyethoxymethoxy)hex-2-en-1-ol
PubChem CID11356172
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name(E)-5-(2-methoxyethoxymethoxy)hex-2-en-1-ol
SMILESCOCCOCOC(C)C/C=C/CO
InChIInChI=1S/C10H20O4/c1-10(5-3-4-6-11)14-9-13-8-7-12-2/h3-4,10-11H,5-9H2,1-2H3/b4-3+
InChIKeyAVRORQRLURGDEP-ONEGZZNKSA-N
XLogP0.95
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.95
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-(2-methoxyethoxymethoxy)hex-2-en-1-ol?
The IUPAC name of (E)-5-(2-methoxyethoxymethoxy)hex-2-en-1-ol (CID 11356172) is (E)-5-(2-methoxyethoxymethoxy)hex-2-en-1-ol.
What is the SMILES notation for (E)-5-(2-methoxyethoxymethoxy)hex-2-en-1-ol?
The canonical SMILES for (E)-5-(2-methoxyethoxymethoxy)hex-2-en-1-ol is COCCOCOC(C)C/C=C/CO.
What is the InChIKey of (E)-5-(2-methoxyethoxymethoxy)hex-2-en-1-ol?
The InChIKey is AVRORQRLURGDEP-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H20O4/c1-10(5-3-4-6-11)14-9-13-8-7-12-2/h3-4,10-11H,5-9H2,1-2H3/b4-3+.
What are the key properties of (E)-5-(2-methoxyethoxymethoxy)hex-2-en-1-ol?
(E)-5-(2-methoxyethoxymethoxy)hex-2-en-1-ol has a molecular weight of 204.27 g/mol, XLogP of 0.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2-methoxyethoxymethoxy)hex-2-en-1-ol is sourced from PubChem (CID 11356172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).