2-ethoxy-2-methylpropan-1-ol

C6H14O2 — CID 54245381

IUPAC2-ethoxy-2-methylpropan-1-ol
SMILESCCOC(C)(C)CO
InChIInChI=1S/C6H14O2/c1-4-8-6(2,3)5-7/h7H,4-5H2,1-3H3
InChIKeyWOSZILCYMCIWFB-UHFFFAOYSA-N
MW118.18 g/mol
LogP0.79
Rot. Bonds3

About 2-ethoxy-2-methylpropan-1-ol

2-ethoxy-2-methylpropan-1-ol (PubChem CID 54245381) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is 2-ethoxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-ethoxy-2-methylpropan-1-ol
PubChem CID54245381
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Name2-ethoxy-2-methylpropan-1-ol
SMILESCCOC(C)(C)CO
InChIInChI=1S/C6H14O2/c1-4-8-6(2,3)5-7/h7H,4-5H2,1-3H3
InChIKeyWOSZILCYMCIWFB-UHFFFAOYSA-N
XLogP0.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methylpropan-1-ol?
The IUPAC name of 2-ethoxy-2-methylpropan-1-ol (CID 54245381) is 2-ethoxy-2-methylpropan-1-ol.
What is the SMILES notation for 2-ethoxy-2-methylpropan-1-ol?
The canonical SMILES for 2-ethoxy-2-methylpropan-1-ol is CCOC(C)(C)CO.
What is the InChIKey of 2-ethoxy-2-methylpropan-1-ol?
The InChIKey is WOSZILCYMCIWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2/c1-4-8-6(2,3)5-7/h7H,4-5H2,1-3H3.
What are the key properties of 2-ethoxy-2-methylpropan-1-ol?
2-ethoxy-2-methylpropan-1-ol has a molecular weight of 118.18 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methylpropan-1-ol is sourced from PubChem (CID 54245381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).