1-(2-methoxypropoxy)-2-methylpropan-2-ol

C8H18O3 — CID 157369312

IUPAC1-(2-methoxypropoxy)-2-methylpropan-2-ol
SMILESCOC(C)COCC(C)(C)O
InChIInChI=1S/C8H18O3/c1-7(10-4)5-11-6-8(2,3)9/h7,9H,5-6H2,1-4H3
InChIKeyBJOICOHWMXMGLR-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.81
Rot. Bonds5

About 1-(2-methoxypropoxy)-2-methylpropan-2-ol

1-(2-methoxypropoxy)-2-methylpropan-2-ol (PubChem CID 157369312) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 1-(2-methoxypropoxy)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2-methoxypropoxy)-2-methylpropan-2-ol
PubChem CID157369312
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name1-(2-methoxypropoxy)-2-methylpropan-2-ol
SMILESCOC(C)COCC(C)(C)O
InChIInChI=1S/C8H18O3/c1-7(10-4)5-11-6-8(2,3)9/h7,9H,5-6H2,1-4H3
InChIKeyBJOICOHWMXMGLR-UHFFFAOYSA-N
XLogP0.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypropoxy)-2-methylpropan-2-ol?
The IUPAC name of 1-(2-methoxypropoxy)-2-methylpropan-2-ol (CID 157369312) is 1-(2-methoxypropoxy)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2-methoxypropoxy)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2-methoxypropoxy)-2-methylpropan-2-ol is COC(C)COCC(C)(C)O.
What is the InChIKey of 1-(2-methoxypropoxy)-2-methylpropan-2-ol?
The InChIKey is BJOICOHWMXMGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-7(10-4)5-11-6-8(2,3)9/h7,9H,5-6H2,1-4H3.
What are the key properties of 1-(2-methoxypropoxy)-2-methylpropan-2-ol?
1-(2-methoxypropoxy)-2-methylpropan-2-ol has a molecular weight of 162.23 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypropoxy)-2-methylpropan-2-ol is sourced from PubChem (CID 157369312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).