1-ethoxy-4-methoxy-2-(methoxymethyl)-2-propan-2-yloxybutane

C12H26O4 — CID 87894328

IUPAC1-ethoxy-4-methoxy-2-(methoxymethyl)-2-propan-2-yloxybutane
SMILESCCOCC(CCOC)(COC)OC(C)C
InChIInChI=1S/C12H26O4/c1-6-15-10-12(9-14-5,7-8-13-4)16-11(2)3/h11H,6-10H2,1-5H3
InChIKeyZDWBJUGDZXGHFT-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.87
Rot. Bonds10

About 1-ethoxy-4-methoxy-2-(methoxymethyl)-2-propan-2-yloxybutane

1-ethoxy-4-methoxy-2-(methoxymethyl)-2-propan-2-yloxybutane (PubChem CID 87894328) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-ethoxy-4-methoxy-2-(methoxymethyl)-2-propan-2-yloxybutane.

Molecular Properties

Compound Name1-ethoxy-4-methoxy-2-(methoxymethyl)-2-propan-2-yloxybutane
PubChem CID87894328
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name1-ethoxy-4-methoxy-2-(methoxymethyl)-2-propan-2-yloxybutane
SMILESCCOCC(CCOC)(COC)OC(C)C
InChIInChI=1S/C12H26O4/c1-6-15-10-12(9-14-5,7-8-13-4)16-11(2)3/h11H,6-10H2,1-5H3
InChIKeyZDWBJUGDZXGHFT-UHFFFAOYSA-N
XLogP1.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-methoxy-2-(methoxymethyl)-2-propan-2-yloxybutane?
The IUPAC name of 1-ethoxy-4-methoxy-2-(methoxymethyl)-2-propan-2-yloxybutane (CID 87894328) is 1-ethoxy-4-methoxy-2-(methoxymethyl)-2-propan-2-yloxybutane.
What is the SMILES notation for 1-ethoxy-4-methoxy-2-(methoxymethyl)-2-propan-2-yloxybutane?
The canonical SMILES for 1-ethoxy-4-methoxy-2-(methoxymethyl)-2-propan-2-yloxybutane is CCOCC(CCOC)(COC)OC(C)C.
What is the InChIKey of 1-ethoxy-4-methoxy-2-(methoxymethyl)-2-propan-2-yloxybutane?
The InChIKey is ZDWBJUGDZXGHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4/c1-6-15-10-12(9-14-5,7-8-13-4)16-11(2)3/h11H,6-10H2,1-5H3.
What are the key properties of 1-ethoxy-4-methoxy-2-(methoxymethyl)-2-propan-2-yloxybutane?
1-ethoxy-4-methoxy-2-(methoxymethyl)-2-propan-2-yloxybutane has a molecular weight of 234.34 g/mol, XLogP of 1.87, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-methoxy-2-(methoxymethyl)-2-propan-2-yloxybutane is sourced from PubChem (CID 87894328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).