1-ethoxy-2-methylbutan-2-ol

C7H16O2 — CID 54556548

IUPAC1-ethoxy-2-methylbutan-2-ol
SMILESCCOCC(C)(O)CC
InChIInChI=1S/C7H16O2/c1-4-7(3,8)6-9-5-2/h8H,4-6H2,1-3H3
InChIKeyXZHMDEGGGZCSES-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.18
Rot. Bonds4

About 1-ethoxy-2-methylbutan-2-ol

1-ethoxy-2-methylbutan-2-ol (PubChem CID 54556548) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 1-ethoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-ethoxy-2-methylbutan-2-ol
PubChem CID54556548
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name1-ethoxy-2-methylbutan-2-ol
SMILESCCOCC(C)(O)CC
InChIInChI=1S/C7H16O2/c1-4-7(3,8)6-9-5-2/h8H,4-6H2,1-3H3
InChIKeyXZHMDEGGGZCSES-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-methylbutan-2-ol?
The IUPAC name of 1-ethoxy-2-methylbutan-2-ol (CID 54556548) is 1-ethoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-ethoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-ethoxy-2-methylbutan-2-ol is CCOCC(C)(O)CC.
What is the InChIKey of 1-ethoxy-2-methylbutan-2-ol?
The InChIKey is XZHMDEGGGZCSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-4-7(3,8)6-9-5-2/h8H,4-6H2,1-3H3.
What are the key properties of 1-ethoxy-2-methylbutan-2-ol?
1-ethoxy-2-methylbutan-2-ol has a molecular weight of 132.20 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-methylbutan-2-ol is sourced from PubChem (CID 54556548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).