2-ethoxy-2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-ol

C16H30O3 — CID 116752624

IUPAC2-ethoxy-2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-ol
SMILESCCOC(CC)(CC)C(O)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H30O3/c1-4-16(5-2,18-6-3)14(17)13-8-11-19-15(12-13)9-7-10-15/h13-14,17H,4-12H2,1-3H3
InChIKeyGCVHASOHUPHCAE-UHFFFAOYSA-N
MW270.41 g/mol
LogP3.29
Rot. Bonds6

About 2-ethoxy-2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-ol

2-ethoxy-2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-ol (PubChem CID 116752624) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 2-ethoxy-2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-ol.

Molecular Properties

Compound Name2-ethoxy-2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-ol
PubChem CID116752624
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name2-ethoxy-2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-ol
SMILESCCOC(CC)(CC)C(O)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H30O3/c1-4-16(5-2,18-6-3)14(17)13-8-11-19-15(12-13)9-7-10-15/h13-14,17H,4-12H2,1-3H3
InChIKeyGCVHASOHUPHCAE-UHFFFAOYSA-N
XLogP3.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-ethylbutan-1-ol
CID 116752395
[2-ethoxy-2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butyl]hydrazine
CID 105275240
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-methylpropan-1-ol
CID 116713568
1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol
CID 103454715
[2-ethoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propyl]hydrazine
CID 105274254
2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79921915
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 79921120
2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-ol
CID 116711129
[2-ethoxy-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propyl]hydrazine
CID 105274222
2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79921916
3-(5-oxaspiro[3.5]nonan-8-yl)butan-2-ol
CID 79911578
3-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol
CID 116502606

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-ol?
The IUPAC name of 2-ethoxy-2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-ol (CID 116752624) is 2-ethoxy-2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-ol.
What is the SMILES notation for 2-ethoxy-2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-ol?
The canonical SMILES for 2-ethoxy-2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-ol is CCOC(CC)(CC)C(O)C1CCOC2(CCC2)C1.
What is the InChIKey of 2-ethoxy-2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-ol?
The InChIKey is GCVHASOHUPHCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-4-16(5-2,18-6-3)14(17)13-8-11-19-15(12-13)9-7-10-15/h13-14,17H,4-12H2,1-3H3.
What are the key properties of 2-ethoxy-2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-ol?
2-ethoxy-2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-ol has a molecular weight of 270.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-ol is sourced from PubChem (CID 116752624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).