1-[1-(dimethoxymethoxy)ethoxy]butane

C9H20O4 — CID 174779567

IUPAC1-[1-(dimethoxymethoxy)ethoxy]butane
SMILESCCCCOC(C)OC(OC)OC
InChIInChI=1S/C9H20O4/c1-5-6-7-12-8(2)13-9(10-3)11-4/h8-9H,5-7H2,1-4H3
InChIKeyIFRAFKLDJIWKLB-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.74
Rot. Bonds8

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

1-[1-(dimethoxymethoxy)ethoxy]butane (PubChem CID 174779567) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-[1-(dimethoxymethoxy)ethoxy]butane.

Molecular Properties

Compound Name1-[1-(dimethoxymethoxy)ethoxy]butane
PubChem CID174779567
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name1-[1-(dimethoxymethoxy)ethoxy]butane
SMILESCCCCOC(C)OC(OC)OC
InChIInChI=1S/C9H20O4/c1-5-6-7-12-8(2)13-9(10-3)11-4/h8-9H,5-7H2,1-4H3
InChIKeyIFRAFKLDJIWKLB-UHFFFAOYSA-N
XLogP1.74
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
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'}

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Related Compounds

1-[1-(1-methoxyethoxy)ethoxy]butane
CID 22025807
1-[1-(1-butoxyethoxy)ethoxy]butane;propane-1,2-diol
CID 87392981
1-(1-hexoxyethoxy)ethanol
CID 22559456
1-(1-butoxyethoxy)-2-methylbutane
CID 90476041
bis(1-butoxyethyl) sulfate
CID 88713543
1-butoxyethoxymethanol
CID 19047949
3-(1-butoxyethoxy)propan-1-ol
CID 54457983
1,4-bis(1-methoxyethoxy)butane
CID 20578725
potassium 2-(1-butoxyethoxy)propanoate
CID 23687851
CID 136849236
CID 136849236
CID 136849214
CID 136849214
1-propan-2-yloxybutane;zirconium
CID 174617524

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethoxymethoxy)ethoxy]butane?
The IUPAC name of 1-[1-(dimethoxymethoxy)ethoxy]butane (CID 174779567) is 1-[1-(dimethoxymethoxy)ethoxy]butane.
What is the SMILES notation for 1-[1-(dimethoxymethoxy)ethoxy]butane?
The canonical SMILES for 1-[1-(dimethoxymethoxy)ethoxy]butane is CCCCOC(C)OC(OC)OC.
What is the InChIKey of 1-[1-(dimethoxymethoxy)ethoxy]butane?
The InChIKey is IFRAFKLDJIWKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4/c1-5-6-7-12-8(2)13-9(10-3)11-4/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-[1-(dimethoxymethoxy)ethoxy]butane?
1-[1-(dimethoxymethoxy)ethoxy]butane has a molecular weight of 192.25 g/mol, XLogP of 1.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethoxymethoxy)ethoxy]butane is sourced from PubChem (CID 174779567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).