2-ethoxy-1-(4-methoxyoxan-4-yl)ethanol

C10H20O4 — CID 116754069

IUPAC2-ethoxy-1-(4-methoxyoxan-4-yl)ethanol
SMILESCCOCC(O)C1(OC)CCOCC1
InChIInChI=1S/C10H20O4/c1-3-13-8-9(11)10(12-2)4-6-14-7-5-10/h9,11H,3-8H2,1-2H3
InChIKeyDZFMCSOMSQKYGU-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.58
Rot. Bonds5

About 2-ethoxy-1-(4-methoxyoxan-4-yl)ethanol

2-ethoxy-1-(4-methoxyoxan-4-yl)ethanol (PubChem CID 116754069) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-ethoxy-1-(4-methoxyoxan-4-yl)ethanol.

Molecular Properties

Compound Name2-ethoxy-1-(4-methoxyoxan-4-yl)ethanol
PubChem CID116754069
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name2-ethoxy-1-(4-methoxyoxan-4-yl)ethanol
SMILESCCOCC(O)C1(OC)CCOCC1
InChIInChI=1S/C10H20O4/c1-3-13-8-9(11)10(12-2)4-6-14-7-5-10/h9,11H,3-8H2,1-2H3
InChIKeyDZFMCSOMSQKYGU-UHFFFAOYSA-N
XLogP0.58
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(4-methoxyoxan-4-yl)ethanol?
The IUPAC name of 2-ethoxy-1-(4-methoxyoxan-4-yl)ethanol (CID 116754069) is 2-ethoxy-1-(4-methoxyoxan-4-yl)ethanol.
What is the SMILES notation for 2-ethoxy-1-(4-methoxyoxan-4-yl)ethanol?
The canonical SMILES for 2-ethoxy-1-(4-methoxyoxan-4-yl)ethanol is CCOCC(O)C1(OC)CCOCC1.
What is the InChIKey of 2-ethoxy-1-(4-methoxyoxan-4-yl)ethanol?
The InChIKey is DZFMCSOMSQKYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-3-13-8-9(11)10(12-2)4-6-14-7-5-10/h9,11H,3-8H2,1-2H3.
What are the key properties of 2-ethoxy-1-(4-methoxyoxan-4-yl)ethanol?
2-ethoxy-1-(4-methoxyoxan-4-yl)ethanol has a molecular weight of 204.27 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(4-methoxyoxan-4-yl)ethanol is sourced from PubChem (CID 116754069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).