1-[1-(1-methoxyethoxy)ethoxy]butane

C9H20O3 — CID 22025807

IUPAC1-[1-(1-methoxyethoxy)ethoxy]butane
SMILESCCCCOC(C)OC(C)OC
InChIInChI=1S/C9H20O3/c1-5-6-7-11-9(3)12-8(2)10-4/h8-9H,5-7H2,1-4H3
InChIKeyKTDCXSIUMNZYSM-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.16
Rot. Bonds7

About 1-[1-(1-methoxyethoxy)ethoxy]butane

1-[1-(1-methoxyethoxy)ethoxy]butane (PubChem CID 22025807) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-[1-(1-methoxyethoxy)ethoxy]butane.

Molecular Properties

Compound Name1-[1-(1-methoxyethoxy)ethoxy]butane
PubChem CID22025807
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Name1-[1-(1-methoxyethoxy)ethoxy]butane
SMILESCCCCOC(C)OC(C)OC
InChIInChI=1S/C9H20O3/c1-5-6-7-11-9(3)12-8(2)10-4/h8-9H,5-7H2,1-4H3
InChIKeyKTDCXSIUMNZYSM-UHFFFAOYSA-N
XLogP2.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(dimethoxymethoxy)ethoxy]butane
CID 174779567
1-[1-(1-butoxyethoxy)ethoxy]butane;propane-1,2-diol
CID 87392981
1,4-bis(1-methoxyethoxy)butane
CID 20578725
1-(1-butoxyethoxy)-2-methylbutane
CID 90476041
1-(1-hexoxyethoxy)ethanol
CID 22559456
bis(1-butoxyethyl) sulfate
CID 88713543
1-butoxyethoxymethanol
CID 19047949
3-(1-butoxyethoxy)propan-1-ol
CID 54457983
potassium 2-(1-butoxyethoxy)propanoate
CID 23687851
CID 136849214
CID 136849214
CID 136849236
CID 136849236
methane;1-propan-2-yloxybutane
CID 158518476

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methoxyethoxy)ethoxy]butane?
The IUPAC name of 1-[1-(1-methoxyethoxy)ethoxy]butane (CID 22025807) is 1-[1-(1-methoxyethoxy)ethoxy]butane.
What is the SMILES notation for 1-[1-(1-methoxyethoxy)ethoxy]butane?
The canonical SMILES for 1-[1-(1-methoxyethoxy)ethoxy]butane is CCCCOC(C)OC(C)OC.
What is the InChIKey of 1-[1-(1-methoxyethoxy)ethoxy]butane?
The InChIKey is KTDCXSIUMNZYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3/c1-5-6-7-11-9(3)12-8(2)10-4/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-[1-(1-methoxyethoxy)ethoxy]butane?
1-[1-(1-methoxyethoxy)ethoxy]butane has a molecular weight of 176.26 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methoxyethoxy)ethoxy]butane is sourced from PubChem (CID 22025807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).