4-(2-methoxyethoxymethoxy)hex-5-en-1-ol

C10H20O4 — CID 86181897

IUPAC4-(2-methoxyethoxymethoxy)hex-5-en-1-ol
SMILESC=CC(CCCO)OCOCCOC
InChIInChI=1S/C10H20O4/c1-3-10(5-4-6-11)14-9-13-8-7-12-2/h3,10-11H,1,4-9H2,2H3
InChIKeyOOLYAFYTEFQFPV-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.95
Rot. Bonds10

About 4-(2-methoxyethoxymethoxy)hex-5-en-1-ol

4-(2-methoxyethoxymethoxy)hex-5-en-1-ol (PubChem CID 86181897) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-(2-methoxyethoxymethoxy)hex-5-en-1-ol.

Molecular Properties

Compound Name4-(2-methoxyethoxymethoxy)hex-5-en-1-ol
PubChem CID86181897
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name4-(2-methoxyethoxymethoxy)hex-5-en-1-ol
SMILESC=CC(CCCO)OCOCCOC
InChIInChI=1S/C10H20O4/c1-3-10(5-4-6-11)14-9-13-8-7-12-2/h3,10-11H,1,4-9H2,2H3
InChIKeyOOLYAFYTEFQFPV-UHFFFAOYSA-N
XLogP0.95
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
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 4-(2-methoxyethoxymethoxy)hex-5-en-1-ol?
The IUPAC name of 4-(2-methoxyethoxymethoxy)hex-5-en-1-ol (CID 86181897) is 4-(2-methoxyethoxymethoxy)hex-5-en-1-ol.
What is the SMILES notation for 4-(2-methoxyethoxymethoxy)hex-5-en-1-ol?
The canonical SMILES for 4-(2-methoxyethoxymethoxy)hex-5-en-1-ol is C=CC(CCCO)OCOCCOC.
What is the InChIKey of 4-(2-methoxyethoxymethoxy)hex-5-en-1-ol?
The InChIKey is OOLYAFYTEFQFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-3-10(5-4-6-11)14-9-13-8-7-12-2/h3,10-11H,1,4-9H2,2H3.
What are the key properties of 4-(2-methoxyethoxymethoxy)hex-5-en-1-ol?
4-(2-methoxyethoxymethoxy)hex-5-en-1-ol has a molecular weight of 204.27 g/mol, XLogP of 0.95, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxymethoxy)hex-5-en-1-ol is sourced from PubChem (CID 86181897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).