1-ethoxy-2,2-bis(ethoxymethyl)butane

C12H26O3 — CID 20670498

IUPAC1-ethoxy-2,2-bis(ethoxymethyl)butane
SMILESCCOCC(CC)(COCC)COCC
InChIInChI=1S/C12H26O3/c1-5-12(9-13-6-2,10-14-7-3)11-15-8-4/h5-11H2,1-4H3
InChIKeyGNKJFTPZLJXDKO-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.49
Rot. Bonds10

About 1-ethoxy-2,2-bis(ethoxymethyl)butane

1-ethoxy-2,2-bis(ethoxymethyl)butane (PubChem CID 20670498) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-ethoxy-2,2-bis(ethoxymethyl)butane.

Molecular Properties

Compound Name1-ethoxy-2,2-bis(ethoxymethyl)butane
PubChem CID20670498
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name1-ethoxy-2,2-bis(ethoxymethyl)butane
SMILESCCOCC(CC)(COCC)COCC
InChIInChI=1S/C12H26O3/c1-5-12(9-13-6-2,10-14-7-3)11-15-8-4/h5-11H2,1-4H3
InChIKeyGNKJFTPZLJXDKO-UHFFFAOYSA-N
XLogP2.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,2-bis(ethoxymethyl)butane?
The IUPAC name of 1-ethoxy-2,2-bis(ethoxymethyl)butane (CID 20670498) is 1-ethoxy-2,2-bis(ethoxymethyl)butane.
What is the SMILES notation for 1-ethoxy-2,2-bis(ethoxymethyl)butane?
The canonical SMILES for 1-ethoxy-2,2-bis(ethoxymethyl)butane is CCOCC(CC)(COCC)COCC.
What is the InChIKey of 1-ethoxy-2,2-bis(ethoxymethyl)butane?
The InChIKey is GNKJFTPZLJXDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-5-12(9-13-6-2,10-14-7-3)11-15-8-4/h5-11H2,1-4H3.
What are the key properties of 1-ethoxy-2,2-bis(ethoxymethyl)butane?
1-ethoxy-2,2-bis(ethoxymethyl)butane has a molecular weight of 218.34 g/mol, XLogP of 2.49, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,2-bis(ethoxymethyl)butane is sourced from PubChem (CID 20670498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).