(4R,5R,6R)-8-oxaspiro[5.6]dodec-10-ene-4,5-diol

C11H18O3 — CID 91670731

IUPAC(4R,5R,6R)-8-oxaspiro[5.6]dodec-10-ene-4,5-diol
SMILESO[C@@H]1CCC[C@]2(CC=CCOC2)[C@H]1O
InChIInChI=1S/C11H18O3/c12-9-4-3-6-11(10(9)13)5-1-2-7-14-8-11/h1-2,9-10,12-13H,3-8H2/t9-,10+,11+/m1/s1
InChIKeyISFGCZDZUUACJB-VWYCJHECSA-N
MW198.26 g/mol
LogP0.86
Rot. Bonds

About (4R,5R,6R)-8-oxaspiro[5.6]dodec-10-ene-4,5-diol

(4R,5R,6R)-8-oxaspiro[5.6]dodec-10-ene-4,5-diol (PubChem CID 91670731) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (4R,5R,6R)-8-oxaspiro[5.6]dodec-10-ene-4,5-diol.

Molecular Properties

Compound Name(4R,5R,6R)-8-oxaspiro[5.6]dodec-10-ene-4,5-diol
PubChem CID91670731
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(4R,5R,6R)-8-oxaspiro[5.6]dodec-10-ene-4,5-diol
SMILESO[C@@H]1CCC[C@]2(CC=CCOC2)[C@H]1O
InChIInChI=1S/C11H18O3/c12-9-4-3-6-11(10(9)13)5-1-2-7-14-8-11/h1-2,9-10,12-13H,3-8H2/t9-,10+,11+/m1/s1
InChIKeyISFGCZDZUUACJB-VWYCJHECSA-N
XLogP0.86
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4R,5R,6R)-8-oxaspiro[5.6]dodec-10-ene-4,5-diol with MolForge

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Related Compounds

2-oxaspiro[3.4]octan-5-ol
CID 178199967
spiro[4.5]dec-8-en-4-ol
CID 130126404
(4R,5R,6R)-4-amino-8-oxaspiro[5.6]dodecan-5-ol
CID 91670728
2-oxaspiro[5.6]dodecan-5-ol
CID 82406501
(6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol
CID 130977943
(1S,2S,3R)-1-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 100932205
2-(spiro[3.5]nonan-3-ylamino)cycloheptan-1-ol
CID 102952299
8-oxaspiro[4.5]decan-4-ylmethanol
CID 126975254
(1S,2R,3R)-3-ethenyl-3-methylcyclohexane-1,2-diol
CID 155705531
3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol
CID 106100705
9-oxospiro[4.5]dec-7-ene-4-carbonitrile
CID 12538162
trans-(1S,2S)-2-amino-3,3-difluorocyclohexan-1-ol
CID 58385996

Frequently Asked Questions

What is the IUPAC name of (4R,5R,6R)-8-oxaspiro[5.6]dodec-10-ene-4,5-diol?
The IUPAC name of (4R,5R,6R)-8-oxaspiro[5.6]dodec-10-ene-4,5-diol (CID 91670731) is (4R,5R,6R)-8-oxaspiro[5.6]dodec-10-ene-4,5-diol.
What is the SMILES notation for (4R,5R,6R)-8-oxaspiro[5.6]dodec-10-ene-4,5-diol?
The canonical SMILES for (4R,5R,6R)-8-oxaspiro[5.6]dodec-10-ene-4,5-diol is O[C@@H]1CCC[C@]2(CC=CCOC2)[C@H]1O.
What is the InChIKey of (4R,5R,6R)-8-oxaspiro[5.6]dodec-10-ene-4,5-diol?
The InChIKey is ISFGCZDZUUACJB-VWYCJHECSA-N. The full InChI is InChI=1S/C11H18O3/c12-9-4-3-6-11(10(9)13)5-1-2-7-14-8-11/h1-2,9-10,12-13H,3-8H2/t9-,10+,11+/m1/s1.
What are the key properties of (4R,5R,6R)-8-oxaspiro[5.6]dodec-10-ene-4,5-diol?
(4R,5R,6R)-8-oxaspiro[5.6]dodec-10-ene-4,5-diol has a molecular weight of 198.26 g/mol, XLogP of 0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6R)-8-oxaspiro[5.6]dodec-10-ene-4,5-diol is sourced from PubChem (CID 91670731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).