(3S)-1-oxaspiro[4.4]nonan-3-ol

C8H14O2 — CID 124707938

IUPAC(3S)-1-oxaspiro[4.4]nonan-3-ol
SMILESO[C@@H]1COC2(CCCC2)C1
InChIInChI=1S/C8H14O2/c9-7-5-8(10-6-7)3-1-2-4-8/h7,9H,1-6H2/t7-/m0/s1
InChIKeyIJYLVXISVKDBSA-ZETCQYMHSA-N
MW142.20 g/mol
LogP1.08
Rot. Bonds

About (3S)-1-oxaspiro[4.4]nonan-3-ol

(3S)-1-oxaspiro[4.4]nonan-3-ol (PubChem CID 124707938) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (3S)-1-oxaspiro[4.4]nonan-3-ol.

Molecular Properties

Compound Name(3S)-1-oxaspiro[4.4]nonan-3-ol
PubChem CID124707938
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(3S)-1-oxaspiro[4.4]nonan-3-ol
SMILESO[C@@H]1COC2(CCCC2)C1
InChIInChI=1S/C8H14O2/c9-7-5-8(10-6-7)3-1-2-4-8/h7,9H,1-6H2/t7-/m0/s1
InChIKeyIJYLVXISVKDBSA-ZETCQYMHSA-N
XLogP1.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5R)-1-oxa-7-azaspiro[4.4]nonan-3-ol
CID 129389910
3-hydroxy-1-oxaspiro[4.5]decan-8-one
CID 59200776
(3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 68609344
(3S)-1-oxaspiro[4.4]nonan-3-amine
CID 42546206
(5S,7S,8S)-8-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-3-ol
CID 69087459
oxolane-2,2,4-triol
CID 20742692
1-oxaspiro[4.5]decan-3-amine
CID 19040159
ethyl (3R)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 93487951
ethyl (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 93487950
4,7,12,14-tetraoxadispiro[4.2.48.25]tetradecane-2,10-diol
CID 162845079
(2R,5R,8S,10R)-4,7,12,14-tetraoxadispiro[4.2.48.25]tetradecane-2,10-diol
CID 101077453
(7S)-5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid
CID 146273108

Frequently Asked Questions

What is the IUPAC name of (3S)-1-oxaspiro[4.4]nonan-3-ol?
The IUPAC name of (3S)-1-oxaspiro[4.4]nonan-3-ol (CID 124707938) is (3S)-1-oxaspiro[4.4]nonan-3-ol.
What is the SMILES notation for (3S)-1-oxaspiro[4.4]nonan-3-ol?
The canonical SMILES for (3S)-1-oxaspiro[4.4]nonan-3-ol is O[C@@H]1COC2(CCCC2)C1.
What is the InChIKey of (3S)-1-oxaspiro[4.4]nonan-3-ol?
The InChIKey is IJYLVXISVKDBSA-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14O2/c9-7-5-8(10-6-7)3-1-2-4-8/h7,9H,1-6H2/t7-/m0/s1.
What are the key properties of (3S)-1-oxaspiro[4.4]nonan-3-ol?
(3S)-1-oxaspiro[4.4]nonan-3-ol has a molecular weight of 142.20 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-oxaspiro[4.4]nonan-3-ol is sourced from PubChem (CID 124707938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).