2-ethoxy-1-(oxan-4-yl)butan-1-ol

C11H22O3 — CID 116711020

IUPAC2-ethoxy-1-(oxan-4-yl)butan-1-ol
SMILESCCOC(CC)C(O)C1CCOCC1
InChIInChI=1S/C11H22O3/c1-3-10(14-4-2)11(12)9-5-7-13-8-6-9/h9-12H,3-8H2,1-2H3
InChIKeyHBJSQGDNSWRNHA-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.59
Rot. Bonds5

About 2-ethoxy-1-(oxan-4-yl)butan-1-ol

2-ethoxy-1-(oxan-4-yl)butan-1-ol (PubChem CID 116711020) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-ethoxy-1-(oxan-4-yl)butan-1-ol.

Molecular Properties

Compound Name2-ethoxy-1-(oxan-4-yl)butan-1-ol
PubChem CID116711020
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-ethoxy-1-(oxan-4-yl)butan-1-ol
SMILESCCOC(CC)C(O)C1CCOCC1
InChIInChI=1S/C11H22O3/c1-3-10(14-4-2)11(12)9-5-7-13-8-6-9/h9-12H,3-8H2,1-2H3
InChIKeyHBJSQGDNSWRNHA-UHFFFAOYSA-N
XLogP1.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(oxan-4-yl)butan-1-ol?
The IUPAC name of 2-ethoxy-1-(oxan-4-yl)butan-1-ol (CID 116711020) is 2-ethoxy-1-(oxan-4-yl)butan-1-ol.
What is the SMILES notation for 2-ethoxy-1-(oxan-4-yl)butan-1-ol?
The canonical SMILES for 2-ethoxy-1-(oxan-4-yl)butan-1-ol is CCOC(CC)C(O)C1CCOCC1.
What is the InChIKey of 2-ethoxy-1-(oxan-4-yl)butan-1-ol?
The InChIKey is HBJSQGDNSWRNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-3-10(14-4-2)11(12)9-5-7-13-8-6-9/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-ethoxy-1-(oxan-4-yl)butan-1-ol?
2-ethoxy-1-(oxan-4-yl)butan-1-ol has a molecular weight of 202.29 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(oxan-4-yl)butan-1-ol is sourced from PubChem (CID 116711020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).