1-(4-ethoxyoxan-4-yl)butan-1-ol

C11H22O3 — CID 116754162

IUPAC1-(4-ethoxyoxan-4-yl)butan-1-ol
SMILESCCCC(O)C1(OCC)CCOCC1
InChIInChI=1S/C11H22O3/c1-3-5-10(12)11(14-4-2)6-8-13-9-7-11/h10,12H,3-9H2,1-2H3
InChIKeyRIUJIBYJZPDSIE-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.73
Rot. Bonds5

About 1-(4-ethoxyoxan-4-yl)butan-1-ol

1-(4-ethoxyoxan-4-yl)butan-1-ol (PubChem CID 116754162) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 1-(4-ethoxyoxan-4-yl)butan-1-ol.

Molecular Properties

Compound Name1-(4-ethoxyoxan-4-yl)butan-1-ol
PubChem CID116754162
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name1-(4-ethoxyoxan-4-yl)butan-1-ol
SMILESCCCC(O)C1(OCC)CCOCC1
InChIInChI=1S/C11H22O3/c1-3-5-10(12)11(14-4-2)6-8-13-9-7-11/h10,12H,3-9H2,1-2H3
InChIKeyRIUJIBYJZPDSIE-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyoxan-4-yl)nonan-1-ol
CID 116754253
1-(1-ethoxycycloheptyl)butan-1-ol
CID 116756084
1-(4-ethoxyoxan-4-yl)-3-methylbut-3-en-1-ol
CID 116754270
1-(4-methoxyoxan-4-yl)undecan-1-ol
CID 116753924
1-(4-ethoxyoxan-4-yl)-3-thiophen-3-ylpropan-1-ol
CID 116754334
1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-amine
CID 107896923
1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol
CID 116755188
2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754296
2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754158
1-(4-ethoxyoxan-4-yl)-N-methylpentan-1-amine
CID 116765698
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754344
1-(1-ethoxycyclopentyl)-2-(oxan-4-yl)ethanol
CID 116753033

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyoxan-4-yl)butan-1-ol?
The IUPAC name of 1-(4-ethoxyoxan-4-yl)butan-1-ol (CID 116754162) is 1-(4-ethoxyoxan-4-yl)butan-1-ol.
What is the SMILES notation for 1-(4-ethoxyoxan-4-yl)butan-1-ol?
The canonical SMILES for 1-(4-ethoxyoxan-4-yl)butan-1-ol is CCCC(O)C1(OCC)CCOCC1.
What is the InChIKey of 1-(4-ethoxyoxan-4-yl)butan-1-ol?
The InChIKey is RIUJIBYJZPDSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-3-5-10(12)11(14-4-2)6-8-13-9-7-11/h10,12H,3-9H2,1-2H3.
What are the key properties of 1-(4-ethoxyoxan-4-yl)butan-1-ol?
1-(4-ethoxyoxan-4-yl)butan-1-ol has a molecular weight of 202.29 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyoxan-4-yl)butan-1-ol is sourced from PubChem (CID 116754162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).