2,2-dimethoxypropane

C5H12O2 — CID 6495

IUPAC2,2-dimethoxypropane
SMILESCOC(C)(C)OC
InChIInChI=1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3
InChIKeyHEWZVZIVELJPQZ-UHFFFAOYSA-N
MW104.15 g/mol
LogP1.02
Rot. Bonds2

About 2,2-dimethoxypropane

2,2-dimethoxypropane (PubChem CID 6495) has the molecular formula C5H12O2 and a molecular weight of 104.15 g/mol. Its IUPAC name is 2,2-dimethoxypropane.

Molecular Properties

Compound Name2,2-dimethoxypropane
PubChem CID6495
Molecular FormulaC5H12O2
Molecular Weight104.15 g/mol
Exact Mass104.08
IUPAC Name2,2-dimethoxypropane
SMILESCOC(C)(C)OC
InChIInChI=1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3
InChIKeyHEWZVZIVELJPQZ-UHFFFAOYSA-N
XLogP1.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxypropane?
The IUPAC name of 2,2-dimethoxypropane (CID 6495) is 2,2-dimethoxypropane.
What is the SMILES notation for 2,2-dimethoxypropane?
The canonical SMILES for 2,2-dimethoxypropane is COC(C)(C)OC.
What is the InChIKey of 2,2-dimethoxypropane?
The InChIKey is HEWZVZIVELJPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3.
What are the key properties of 2,2-dimethoxypropane?
2,2-dimethoxypropane has a molecular weight of 104.15 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxypropane is sourced from PubChem (CID 6495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).