1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol

C12H22O3 — CID 103454715

IUPAC1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol
SMILESCCC(O)C(O)C1CCOC2(CCC2)C1
InChIInChI=1S/C12H22O3/c1-2-10(13)11(14)9-4-7-15-12(8-9)5-3-6-12/h9-11,13-14H,2-8H2,1H3
InChIKeyXRRAWHDOPYXPSJ-UHFFFAOYSA-N
MW214.30 g/mol
LogP1.47
Rot. Bonds3

About 1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol

1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol (PubChem CID 103454715) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol.

Molecular Properties

Compound Name1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol
PubChem CID103454715
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol
SMILESCCC(O)C(O)C1CCOC2(CCC2)C1
InChIInChI=1S/C12H22O3/c1-2-10(13)11(14)9-4-7-15-12(8-9)5-3-6-12/h9-11,13-14H,2-8H2,1H3
InChIKeyXRRAWHDOPYXPSJ-UHFFFAOYSA-N
XLogP1.47
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol with MolForge

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Related Compounds

2-cyclopropyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol
CID 115819806
1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diol
CID 103459246
2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-ol
CID 116711129
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248
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
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-ol
CID 79913855
3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-ol
CID 103312575
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)-2-(propylamino)ethanol
CID 79924322
1-(5-oxaspiro[3.5]nonan-8-yl)-2-propylsulfanylethanol
CID 79921106
cyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899192

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol?
The IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol (CID 103454715) is 1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol.
What is the SMILES notation for 1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol?
The canonical SMILES for 1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol is CCC(O)C(O)C1CCOC2(CCC2)C1.
What is the InChIKey of 1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol?
The InChIKey is XRRAWHDOPYXPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-2-10(13)11(14)9-4-7-15-12(8-9)5-3-6-12/h9-11,13-14H,2-8H2,1H3.
What are the key properties of 1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol?
1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol has a molecular weight of 214.30 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol is sourced from PubChem (CID 103454715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).