3-ethoxy-3-(ethoxymethyl)pentane

C10H22O2 — CID 19354116

IUPAC3-ethoxy-3-(ethoxymethyl)pentane
SMILESCCOCC(CC)(CC)OCC
InChIInChI=1S/C10H22O2/c1-5-10(6-2,12-8-4)9-11-7-3/h5-9H2,1-4H3
InChIKeyTUKZEDOBNZMVIZ-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.62
Rot. Bonds7

About 3-ethoxy-3-(ethoxymethyl)pentane

3-ethoxy-3-(ethoxymethyl)pentane (PubChem CID 19354116) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 3-ethoxy-3-(ethoxymethyl)pentane.

Molecular Properties

Compound Name3-ethoxy-3-(ethoxymethyl)pentane
PubChem CID19354116
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name3-ethoxy-3-(ethoxymethyl)pentane
SMILESCCOCC(CC)(CC)OCC
InChIInChI=1S/C10H22O2/c1-5-10(6-2,12-8-4)9-11-7-3/h5-9H2,1-4H3
InChIKeyTUKZEDOBNZMVIZ-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-(ethoxymethyl)pentane?
The IUPAC name of 3-ethoxy-3-(ethoxymethyl)pentane (CID 19354116) is 3-ethoxy-3-(ethoxymethyl)pentane.
What is the SMILES notation for 3-ethoxy-3-(ethoxymethyl)pentane?
The canonical SMILES for 3-ethoxy-3-(ethoxymethyl)pentane is CCOCC(CC)(CC)OCC.
What is the InChIKey of 3-ethoxy-3-(ethoxymethyl)pentane?
The InChIKey is TUKZEDOBNZMVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-5-10(6-2,12-8-4)9-11-7-3/h5-9H2,1-4H3.
What are the key properties of 3-ethoxy-3-(ethoxymethyl)pentane?
3-ethoxy-3-(ethoxymethyl)pentane has a molecular weight of 174.28 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-(ethoxymethyl)pentane is sourced from PubChem (CID 19354116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).