1-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)butane

C15H32O6 — CID 20641882

IUPAC1-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)butane
SMILESCCC(COCCOC)(COCCOC)COCCOC
InChIInChI=1S/C15H32O6/c1-5-15(12-19-9-6-16-2,13-20-10-7-17-3)14-21-11-8-18-4/h5-14H2,1-4H3
InChIKeyJNUDUKWVHZKQOM-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.37
Rot. Bonds16

About 1-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)butane

1-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)butane (PubChem CID 20641882) has the molecular formula C15H32O6 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)butane.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)butane
PubChem CID20641882
Molecular FormulaC15H32O6
Molecular Weight308.42 g/mol
Exact Mass308.22
IUPAC Name1-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)butane
SMILESCCC(COCCOC)(COCCOC)COCCOC
InChIInChI=1S/C15H32O6/c1-5-15(12-19-9-6-16-2,13-20-10-7-17-3)14-21-11-8-18-4/h5-14H2,1-4H3
InChIKeyJNUDUKWVHZKQOM-UHFFFAOYSA-N
XLogP1.37
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)butane?
The IUPAC name of 1-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)butane (CID 20641882) is 1-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)butane.
What is the SMILES notation for 1-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)butane?
The canonical SMILES for 1-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)butane is CCC(COCCOC)(COCCOC)COCCOC.
What is the InChIKey of 1-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)butane?
The InChIKey is JNUDUKWVHZKQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O6/c1-5-15(12-19-9-6-16-2,13-20-10-7-17-3)14-21-11-8-18-4/h5-14H2,1-4H3.
What are the key properties of 1-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)butane?
1-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)butane has a molecular weight of 308.42 g/mol, XLogP of 1.37, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)butane is sourced from PubChem (CID 20641882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).