2-methoxy-2-(oxan-4-yl)ethanol

C8H16O3 — CID 118196325

IUPAC2-methoxy-2-(oxan-4-yl)ethanol
SMILESCOC(CO)C1CCOCC1
InChIInChI=1S/C8H16O3/c1-10-8(6-9)7-2-4-11-5-3-7/h7-9H,2-6H2,1H3
InChIKeyIMOUWWHRKBFKQI-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.42
Rot. Bonds3

About 2-methoxy-2-(oxan-4-yl)ethanol

2-methoxy-2-(oxan-4-yl)ethanol (PubChem CID 118196325) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-methoxy-2-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name2-methoxy-2-(oxan-4-yl)ethanol
PubChem CID118196325
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-methoxy-2-(oxan-4-yl)ethanol
SMILESCOC(CO)C1CCOCC1
InChIInChI=1S/C8H16O3/c1-10-8(6-9)7-2-4-11-5-3-7/h7-9H,2-6H2,1H3
InChIKeyIMOUWWHRKBFKQI-UHFFFAOYSA-N
XLogP0.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(oxan-4-yl)ethanol?
The IUPAC name of 2-methoxy-2-(oxan-4-yl)ethanol (CID 118196325) is 2-methoxy-2-(oxan-4-yl)ethanol.
What is the SMILES notation for 2-methoxy-2-(oxan-4-yl)ethanol?
The canonical SMILES for 2-methoxy-2-(oxan-4-yl)ethanol is COC(CO)C1CCOCC1.
What is the InChIKey of 2-methoxy-2-(oxan-4-yl)ethanol?
The InChIKey is IMOUWWHRKBFKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-10-8(6-9)7-2-4-11-5-3-7/h7-9H,2-6H2,1H3.
What are the key properties of 2-methoxy-2-(oxan-4-yl)ethanol?
2-methoxy-2-(oxan-4-yl)ethanol has a molecular weight of 160.21 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(oxan-4-yl)ethanol is sourced from PubChem (CID 118196325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).