2-(2-methoxyethoxymethoxy)non-1-en-4-ol

C13H26O4 — CID 102050978

IUPAC2-(2-methoxyethoxymethoxy)non-1-en-4-ol
SMILESC=C(CC(O)CCCCC)OCOCCOC
InChIInChI=1S/C13H26O4/c1-4-5-6-7-13(14)10-12(2)17-11-16-9-8-15-3/h13-14H,2,4-11H2,1,3H3
InChIKeyJSHAJVKNNOYHEO-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.47
Rot. Bonds12

About 2-(2-methoxyethoxymethoxy)non-1-en-4-ol

2-(2-methoxyethoxymethoxy)non-1-en-4-ol (PubChem CID 102050978) has the molecular formula C13H26O4 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(2-methoxyethoxymethoxy)non-1-en-4-ol.

Molecular Properties

Compound Name2-(2-methoxyethoxymethoxy)non-1-en-4-ol
PubChem CID102050978
Molecular FormulaC13H26O4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Name2-(2-methoxyethoxymethoxy)non-1-en-4-ol
SMILESC=C(CC(O)CCCCC)OCOCCOC
InChIInChI=1S/C13H26O4/c1-4-5-6-7-13(14)10-12(2)17-11-16-9-8-15-3/h13-14H,2,4-11H2,1,3H3
InChIKeyJSHAJVKNNOYHEO-UHFFFAOYSA-N
XLogP2.47
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxymethoxy)non-1-en-4-ol?
The IUPAC name of 2-(2-methoxyethoxymethoxy)non-1-en-4-ol (CID 102050978) is 2-(2-methoxyethoxymethoxy)non-1-en-4-ol.
What is the SMILES notation for 2-(2-methoxyethoxymethoxy)non-1-en-4-ol?
The canonical SMILES for 2-(2-methoxyethoxymethoxy)non-1-en-4-ol is C=C(CC(O)CCCCC)OCOCCOC.
What is the InChIKey of 2-(2-methoxyethoxymethoxy)non-1-en-4-ol?
The InChIKey is JSHAJVKNNOYHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4/c1-4-5-6-7-13(14)10-12(2)17-11-16-9-8-15-3/h13-14H,2,4-11H2,1,3H3.
What are the key properties of 2-(2-methoxyethoxymethoxy)non-1-en-4-ol?
2-(2-methoxyethoxymethoxy)non-1-en-4-ol has a molecular weight of 246.35 g/mol, XLogP of 2.47, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxymethoxy)non-1-en-4-ol is sourced from PubChem (CID 102050978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).