2-ethoxy-3-methylbutan-1-ol

C7H16O2 — CID 23384802

IUPAC2-ethoxy-3-methylbutan-1-ol
SMILESCCOC(CO)C(C)C
InChIInChI=1S/C7H16O2/c1-4-9-7(5-8)6(2)3/h6-8H,4-5H2,1-3H3
InChIKeyDULLILBOLMERJH-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.04
Rot. Bonds4

About 2-ethoxy-3-methylbutan-1-ol

2-ethoxy-3-methylbutan-1-ol (PubChem CID 23384802) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 2-ethoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-ethoxy-3-methylbutan-1-ol
PubChem CID23384802
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name2-ethoxy-3-methylbutan-1-ol
SMILESCCOC(CO)C(C)C
InChIInChI=1S/C7H16O2/c1-4-9-7(5-8)6(2)3/h6-8H,4-5H2,1-3H3
InChIKeyDULLILBOLMERJH-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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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-methylbutan-1-ol?
The IUPAC name of 2-ethoxy-3-methylbutan-1-ol (CID 23384802) is 2-ethoxy-3-methylbutan-1-ol.
What is the SMILES notation for 2-ethoxy-3-methylbutan-1-ol?
The canonical SMILES for 2-ethoxy-3-methylbutan-1-ol is CCOC(CO)C(C)C.
What is the InChIKey of 2-ethoxy-3-methylbutan-1-ol?
The InChIKey is DULLILBOLMERJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-4-9-7(5-8)6(2)3/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-ethoxy-3-methylbutan-1-ol?
2-ethoxy-3-methylbutan-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 2-ethoxy-3-methylbutan-1-ol is sourced from PubChem (CID 23384802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).