4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]butan-1-ol

C10H22O5 — CID 87736980

IUPAC4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
SMILESCOCCOCCOC(CCO)COC
InChIInChI=1S/C10H22O5/c1-12-5-6-14-7-8-15-10(3-4-11)9-13-2/h10-11H,3-9H2,1-2H3
InChIKeyCRQGCCOYLFNWIV-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.06
Rot. Bonds11

About 4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]butan-1-ol

4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]butan-1-ol (PubChem CID 87736980) has the molecular formula C10H22O5 and a molecular weight of 222.28 g/mol. Its IUPAC name is 4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
PubChem CID87736980
Molecular FormulaC10H22O5
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
SMILESCOCCOCCOC(CCO)COC
InChIInChI=1S/C10H22O5/c1-12-5-6-14-7-8-15-10(3-4-11)9-13-2/h10-11H,3-9H2,1-2H3
InChIKeyCRQGCCOYLFNWIV-UHFFFAOYSA-N
XLogP0.06
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate
CID 139923215
4-[2-[2-[1-[2-[2-[2,3-bis[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethoxy]butan-2-yloxy]ethoxy]ethoxy]-1,2-bis[2-(2-methoxyethoxy)ethoxy]butane;methanethiol
CID 157198913
2-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 57080200
[4-(2-ethoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate
CID 139923284
1,2-bis[2-(2-methoxyethoxy)ethoxy]ethane-1,2-diol
CID 155319585
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propan-1-ol
CID 78062387
2-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
CID 104566817
sodium;ethane-1,2-diol;1-methoxy-2-(2-methoxyethoxy)ethane;hydroxide
CID 173220680
2-methoxyethanol;2-(2-methoxyethoxy)ethanol
CID 87975598
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;hydroiodide
CID 88616948
ethane-1,2-diol;2-methoxyethanol;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 161198801
[2-[2-(2-butoxyethoxy)ethoxy]-4-methoxybutyl] hydrogen carbonate
CID 139923197

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]butan-1-ol?
The IUPAC name of 4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]butan-1-ol (CID 87736980) is 4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]butan-1-ol.
What is the SMILES notation for 4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]butan-1-ol?
The canonical SMILES for 4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]butan-1-ol is COCCOCCOC(CCO)COC.
What is the InChIKey of 4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]butan-1-ol?
The InChIKey is CRQGCCOYLFNWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O5/c1-12-5-6-14-7-8-15-10(3-4-11)9-13-2/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]butan-1-ol?
4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]butan-1-ol has a molecular weight of 222.28 g/mol, XLogP of 0.06, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]butan-1-ol is sourced from PubChem (CID 87736980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).