1,2,3-trimethoxypropane

C6H14O3 — CID 30210

IUPAC1,2,3-trimethoxypropane
SMILESCOCC(COC)OC
InChIInChI=1S/C6H14O3/c1-7-4-6(9-3)5-8-2/h6H,4-5H2,1-3H3
InChIKeyCAYMIAFKNJGSOR-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.29
Rot. Bonds5

About 1,2,3-trimethoxypropane

1,2,3-trimethoxypropane (PubChem CID 30210) has the molecular formula C6H14O3 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1,2,3-trimethoxypropane.

Molecular Properties

Compound Name1,2,3-trimethoxypropane
PubChem CID30210
Molecular FormulaC6H14O3
Molecular Weight134.18 g/mol
Exact Mass134.09
IUPAC Name1,2,3-trimethoxypropane
SMILESCOCC(COC)OC
InChIInChI=1S/C6H14O3/c1-7-4-6(9-3)5-8-2/h6H,4-5H2,1-3H3
InChIKeyCAYMIAFKNJGSOR-UHFFFAOYSA-N
XLogP0.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxypropane?
The IUPAC name of 1,2,3-trimethoxypropane (CID 30210) is 1,2,3-trimethoxypropane.
What is the SMILES notation for 1,2,3-trimethoxypropane?
The canonical SMILES for 1,2,3-trimethoxypropane is COCC(COC)OC.
What is the InChIKey of 1,2,3-trimethoxypropane?
The InChIKey is CAYMIAFKNJGSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3/c1-7-4-6(9-3)5-8-2/h6H,4-5H2,1-3H3.
What are the key properties of 1,2,3-trimethoxypropane?
1,2,3-trimethoxypropane has a molecular weight of 134.18 g/mol, XLogP of 0.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxypropane is sourced from PubChem (CID 30210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).