3-ethoxy-2,2-dimethylpropan-1-ol

C7H16O2 — CID 12698285

IUPAC3-ethoxy-2,2-dimethylpropan-1-ol
SMILESCCOCC(C)(C)CO
InChIInChI=1S/C7H16O2/c1-4-9-6-7(2,3)5-8/h8H,4-6H2,1-3H3
InChIKeyKWJOBPQHYKOEJR-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.04
Rot. Bonds4

About 3-ethoxy-2,2-dimethylpropan-1-ol

3-ethoxy-2,2-dimethylpropan-1-ol (PubChem CID 12698285) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethylpropan-1-ol
PubChem CID12698285
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name3-ethoxy-2,2-dimethylpropan-1-ol
SMILESCCOCC(C)(C)CO
InChIInChI=1S/C7H16O2/c1-4-9-6-7(2,3)5-8/h8H,4-6H2,1-3H3
InChIKeyKWJOBPQHYKOEJR-UHFFFAOYSA-N
XLogP1.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol
CID 14512536
3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropan-1-ol
CID 58571429
ethoxyethane;2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 21464807
boric acid;3-ethylperoxy-2,2-dimethylpropan-1-ol
CID 175109670
3-ethoxy-2-(ethylamino)-2-methylpropan-1-ol
CID 64802622
3-(3-hydroxy-2,2-dimethylpropoxy)propane-1,2-diol
CID 18991200
5-ethoxy-2,2,4,4-tetramethylpentane-1,3-diol
CID 123543518
3-ethoxy-N,N,2,2-tetramethylpropan-1-amine
CID 90227656
2-amino-2-(ethoxymethyl)propane-1,3-diol;tetrahydrochloride
CID 173373234
ethane;1-ethoxy-2,2-dimethylpropane
CID 155734553
4-ethoxy-3,3-dimethylbutanal
CID 115011601
2-(dimethylamino)-2-(ethoxymethyl)propane-1,3-diol
CID 174350180

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-ethoxy-2,2-dimethylpropan-1-ol (CID 12698285) is 3-ethoxy-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-ethoxy-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-ethoxy-2,2-dimethylpropan-1-ol is CCOCC(C)(C)CO.
What is the InChIKey of 3-ethoxy-2,2-dimethylpropan-1-ol?
The InChIKey is KWJOBPQHYKOEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-4-9-6-7(2,3)5-8/h8H,4-6H2,1-3H3.
What are the key properties of 3-ethoxy-2,2-dimethylpropan-1-ol?
3-ethoxy-2,2-dimethylpropan-1-ol has a molecular weight of 132.20 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 12698285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).