2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-ol

C15H28O3 — CID 116711129

IUPAC2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-ol
SMILESCCOC(CC)C(O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H28O3/c1-3-13(17-4-2)14(16)12-7-10-18-15(11-12)8-5-6-9-15/h12-14,16H,3-11H2,1-2H3
InChIKeyIXGLYNJVUVUJMW-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.90
Rot. Bonds5

About 2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-ol

2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-ol (PubChem CID 116711129) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-ol.

Molecular Properties

Compound Name2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-ol
PubChem CID116711129
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-ol
SMILESCCOC(CC)C(O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H28O3/c1-3-13(17-4-2)14(16)12-7-10-18-15(11-12)8-5-6-9-15/h12-14,16H,3-11H2,1-2H3
InChIKeyIXGLYNJVUVUJMW-UHFFFAOYSA-N
XLogP2.90
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 116716937
1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol
CID 103454715
2-cyclopropyl-2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 116723029
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248
2-ethoxy-1-(oxan-4-yl)butan-1-ol
CID 116711020
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-ol
CID 79913855
2-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 116716712
2-ethoxy-2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-ol
CID 116752624
1-(6-oxaspiro[4.5]decan-9-yl)hexan-1-ol
CID 79912927
3-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol
CID 116502606
2-cyclopropyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol
CID 115819806
1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-ol
CID 79913392

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-ol?
The IUPAC name of 2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-ol (CID 116711129) is 2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-ol.
What is the SMILES notation for 2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-ol?
The canonical SMILES for 2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-ol is CCOC(CC)C(O)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-ol?
The InChIKey is IXGLYNJVUVUJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-3-13(17-4-2)14(16)12-7-10-18-15(11-12)8-5-6-9-15/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-ol?
2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-ol has a molecular weight of 256.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-ol is sourced from PubChem (CID 116711129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).