1,4-bis(1-methoxyethoxy)butane

C10H22O4 — CID 20578725

IUPAC1,4-bis(1-methoxyethoxy)butane
SMILESCOC(C)OCCCCOC(C)OC
InChIInChI=1S/C10H22O4/c1-9(11-3)13-7-5-6-8-14-10(2)12-4/h9-10H,5-8H2,1-4H3
InChIKeyACUBEQPXUOOPBT-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.78
Rot. Bonds9

About 1,4-bis(1-methoxyethoxy)butane

1,4-bis(1-methoxyethoxy)butane (PubChem CID 20578725) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1,4-bis(1-methoxyethoxy)butane.

Molecular Properties

Compound Name1,4-bis(1-methoxyethoxy)butane
PubChem CID20578725
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name1,4-bis(1-methoxyethoxy)butane
SMILESCOC(C)OCCCCOC(C)OC
InChIInChI=1S/C10H22O4/c1-9(11-3)13-7-5-6-8-14-10(2)12-4/h9-10H,5-8H2,1-4H3
InChIKeyACUBEQPXUOOPBT-UHFFFAOYSA-N
XLogP1.78
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.78
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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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(1-methoxyethoxy)butane?
The IUPAC name of 1,4-bis(1-methoxyethoxy)butane (CID 20578725) is 1,4-bis(1-methoxyethoxy)butane.
What is the SMILES notation for 1,4-bis(1-methoxyethoxy)butane?
The canonical SMILES for 1,4-bis(1-methoxyethoxy)butane is COC(C)OCCCCOC(C)OC.
What is the InChIKey of 1,4-bis(1-methoxyethoxy)butane?
The InChIKey is ACUBEQPXUOOPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4/c1-9(11-3)13-7-5-6-8-14-10(2)12-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 1,4-bis(1-methoxyethoxy)butane?
1,4-bis(1-methoxyethoxy)butane has a molecular weight of 206.28 g/mol, XLogP of 1.78, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(1-methoxyethoxy)butane is sourced from PubChem (CID 20578725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).