1,2-dimethoxypropane

C5H12O2 — CID 24509

IUPAC1,2-dimethoxypropane
SMILESCOCC(C)OC
InChIInChI=1S/C5H12O2/c1-5(7-3)4-6-2/h5H,4H2,1-3H3
InChIKeyLEEANUDEDHYDTG-UHFFFAOYSA-N
MW104.15 g/mol
LogP0.67
Rot. Bonds3

About 1,2-dimethoxypropane

1,2-dimethoxypropane (PubChem CID 24509) has the molecular formula C5H12O2 and a molecular weight of 104.15 g/mol. Its IUPAC name is 1,2-dimethoxypropane.

Molecular Properties

Compound Name1,2-dimethoxypropane
PubChem CID24509
Molecular FormulaC5H12O2
Molecular Weight104.15 g/mol
Exact Mass104.08
IUPAC Name1,2-dimethoxypropane
SMILESCOCC(C)OC
InChIInChI=1S/C5H12O2/c1-5(7-3)4-6-2/h5H,4H2,1-3H3
InChIKeyLEEANUDEDHYDTG-UHFFFAOYSA-N
XLogP0.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxypropane?
The IUPAC name of 1,2-dimethoxypropane (CID 24509) is 1,2-dimethoxypropane.
What is the SMILES notation for 1,2-dimethoxypropane?
The canonical SMILES for 1,2-dimethoxypropane is COCC(C)OC.
What is the InChIKey of 1,2-dimethoxypropane?
The InChIKey is LEEANUDEDHYDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2/c1-5(7-3)4-6-2/h5H,4H2,1-3H3.
What are the key properties of 1,2-dimethoxypropane?
1,2-dimethoxypropane has a molecular weight of 104.15 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxypropane is sourced from PubChem (CID 24509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).