3-ethoxy-1,5-dimethoxypentane

C9H20O3 — CID 20810650

IUPAC3-ethoxy-1,5-dimethoxypentane
SMILESCCOC(CCOC)CCOC
InChIInChI=1S/C9H20O3/c1-4-12-9(5-7-10-2)6-8-11-3/h9H,4-8H2,1-3H3
InChIKeyXHJXGRAUAYFKPH-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.46
Rot. Bonds8

About 3-ethoxy-1,5-dimethoxypentane

3-ethoxy-1,5-dimethoxypentane (PubChem CID 20810650) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-ethoxy-1,5-dimethoxypentane.

Molecular Properties

Compound Name3-ethoxy-1,5-dimethoxypentane
PubChem CID20810650
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Name3-ethoxy-1,5-dimethoxypentane
SMILESCCOC(CCOC)CCOC
InChIInChI=1S/C9H20O3/c1-4-12-9(5-7-10-2)6-8-11-3/h9H,4-8H2,1-3H3
InChIKeyXHJXGRAUAYFKPH-UHFFFAOYSA-N
XLogP1.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,5-dimethoxypentane?
The IUPAC name of 3-ethoxy-1,5-dimethoxypentane (CID 20810650) is 3-ethoxy-1,5-dimethoxypentane.
What is the SMILES notation for 3-ethoxy-1,5-dimethoxypentane?
The canonical SMILES for 3-ethoxy-1,5-dimethoxypentane is CCOC(CCOC)CCOC.
What is the InChIKey of 3-ethoxy-1,5-dimethoxypentane?
The InChIKey is XHJXGRAUAYFKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3/c1-4-12-9(5-7-10-2)6-8-11-3/h9H,4-8H2,1-3H3.
What are the key properties of 3-ethoxy-1,5-dimethoxypentane?
3-ethoxy-1,5-dimethoxypentane has a molecular weight of 176.26 g/mol, XLogP of 1.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,5-dimethoxypentane is sourced from PubChem (CID 20810650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).