3-(2-methoxyethoxy)-1-(oxan-4-yl)propan-1-ol

C11H22O4 — CID 102927528

IUPAC3-(2-methoxyethoxy)-1-(oxan-4-yl)propan-1-ol
SMILESCOCCOCCC(O)C1CCOCC1
InChIInChI=1S/C11H22O4/c1-13-8-9-15-7-4-11(12)10-2-5-14-6-3-10/h10-12H,2-9H2,1H3
InChIKeyJGJOHQXGKWYECX-UHFFFAOYSA-N
MW218.29 g/mol
LogP0.83
Rot. Bonds7

About 3-(2-methoxyethoxy)-1-(oxan-4-yl)propan-1-ol

3-(2-methoxyethoxy)-1-(oxan-4-yl)propan-1-ol (PubChem CID 102927528) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-1-(oxan-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-1-(oxan-4-yl)propan-1-ol
PubChem CID102927528
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name3-(2-methoxyethoxy)-1-(oxan-4-yl)propan-1-ol
SMILESCOCCOCCC(O)C1CCOCC1
InChIInChI=1S/C11H22O4/c1-13-8-9-15-7-4-11(12)10-2-5-14-6-3-10/h10-12H,2-9H2,1H3
InChIKeyJGJOHQXGKWYECX-UHFFFAOYSA-N
XLogP0.83
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-1-(oxan-4-yl)propan-1-ol?
The IUPAC name of 3-(2-methoxyethoxy)-1-(oxan-4-yl)propan-1-ol (CID 102927528) is 3-(2-methoxyethoxy)-1-(oxan-4-yl)propan-1-ol.
What is the SMILES notation for 3-(2-methoxyethoxy)-1-(oxan-4-yl)propan-1-ol?
The canonical SMILES for 3-(2-methoxyethoxy)-1-(oxan-4-yl)propan-1-ol is COCCOCCC(O)C1CCOCC1.
What is the InChIKey of 3-(2-methoxyethoxy)-1-(oxan-4-yl)propan-1-ol?
The InChIKey is JGJOHQXGKWYECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-13-8-9-15-7-4-11(12)10-2-5-14-6-3-10/h10-12H,2-9H2,1H3.
What are the key properties of 3-(2-methoxyethoxy)-1-(oxan-4-yl)propan-1-ol?
3-(2-methoxyethoxy)-1-(oxan-4-yl)propan-1-ol has a molecular weight of 218.29 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-1-(oxan-4-yl)propan-1-ol is sourced from PubChem (CID 102927528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).