3-(1-ethoxyethoxy)-2-ethylbutan-1-ol

C10H22O3 — CID 544702

IUPAC3-(1-ethoxyethoxy)-2-ethylbutan-1-ol
SMILESCCOC(C)OC(C)C(CC)CO
InChIInChI=1S/C10H22O3/c1-5-10(7-11)8(3)13-9(4)12-6-2/h8-11H,5-7H2,1-4H3
InChIKeyWEGSYOFHLITQLD-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.79
Rot. Bonds7

About 3-(1-ethoxyethoxy)-2-ethylbutan-1-ol

3-(1-ethoxyethoxy)-2-ethylbutan-1-ol (PubChem CID 544702) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is 3-(1-ethoxyethoxy)-2-ethylbutan-1-ol.

Molecular Properties

Compound Name3-(1-ethoxyethoxy)-2-ethylbutan-1-ol
PubChem CID544702
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name3-(1-ethoxyethoxy)-2-ethylbutan-1-ol
SMILESCCOC(C)OC(C)C(CC)CO
InChIInChI=1S/C10H22O3/c1-5-10(7-11)8(3)13-9(4)12-6-2/h8-11H,5-7H2,1-4H3
InChIKeyWEGSYOFHLITQLD-UHFFFAOYSA-N
XLogP1.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethoxy)-2-ethylbutan-1-ol?
The IUPAC name of 3-(1-ethoxyethoxy)-2-ethylbutan-1-ol (CID 544702) is 3-(1-ethoxyethoxy)-2-ethylbutan-1-ol.
What is the SMILES notation for 3-(1-ethoxyethoxy)-2-ethylbutan-1-ol?
The canonical SMILES for 3-(1-ethoxyethoxy)-2-ethylbutan-1-ol is CCOC(C)OC(C)C(CC)CO.
What is the InChIKey of 3-(1-ethoxyethoxy)-2-ethylbutan-1-ol?
The InChIKey is WEGSYOFHLITQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-5-10(7-11)8(3)13-9(4)12-6-2/h8-11H,5-7H2,1-4H3.
What are the key properties of 3-(1-ethoxyethoxy)-2-ethylbutan-1-ol?
3-(1-ethoxyethoxy)-2-ethylbutan-1-ol has a molecular weight of 190.28 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethoxy)-2-ethylbutan-1-ol is sourced from PubChem (CID 544702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).