(5R,10R)-10-phenyl-6-oxaspiro[4.5]decan-4-one

C15H18O2 — CID 134957796

IUPAC(5R,10R)-10-phenyl-6-oxaspiro[4.5]decan-4-one
SMILESO=C1CCC[C@]12OCCC[C@@H]2c1ccccc1
InChIInChI=1S/C15H18O2/c16-14-9-4-10-15(14)13(8-5-11-17-15)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2/t13-,15-/m1/s1
InChIKeyWIOINGAFNSMYBX-UKRRQHHQSA-N
MW230.31 g/mol
LogP3.07
Rot. Bonds1

About (5R,10R)-10-phenyl-6-oxaspiro[4.5]decan-4-one

(5R,10R)-10-phenyl-6-oxaspiro[4.5]decan-4-one (PubChem CID 134957796) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (5R,10R)-10-phenyl-6-oxaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name(5R,10R)-10-phenyl-6-oxaspiro[4.5]decan-4-one
PubChem CID134957796
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(5R,10R)-10-phenyl-6-oxaspiro[4.5]decan-4-one
SMILESO=C1CCC[C@]12OCCC[C@@H]2c1ccccc1
InChIInChI=1S/C15H18O2/c16-14-9-4-10-15(14)13(8-5-11-17-15)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2/t13-,15-/m1/s1
InChIKeyWIOINGAFNSMYBX-UKRRQHHQSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 16076101
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CID 58075264
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CID 13611248
2-Methoxy-4-phenylcyclohexan-1-one
CID 19030151
4-Phenyloxolan-3-one
CID 57856708
(6S)-6-benzyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 102284593
(3R)-3-phenyloxan-2-one
CID 13611249
(2S)-2-benzyloxetan-3-one
CID 20612032
1-(Oxolan-2-yl)-3-phenylpropan-1-one
CID 20976605
6-Methyl-5-phenyloxan-2-one
CID 134918787
9-(4-Fluorophenyl)-1-oxaspiro[4.4]nonan-3-one
CID 54157343
(3S)-3-(2-fluorophenyl)-5,5-dimethyloxolane-2-carbaldehyde
CID 59963923

Frequently Asked Questions

What is the IUPAC name of (5R,10R)-10-phenyl-6-oxaspiro[4.5]decan-4-one?
The IUPAC name of (5R,10R)-10-phenyl-6-oxaspiro[4.5]decan-4-one (CID 134957796) is (5R,10R)-10-phenyl-6-oxaspiro[4.5]decan-4-one.
What is the SMILES notation for (5R,10R)-10-phenyl-6-oxaspiro[4.5]decan-4-one?
The canonical SMILES for (5R,10R)-10-phenyl-6-oxaspiro[4.5]decan-4-one is O=C1CCC[C@]12OCCC[C@@H]2c1ccccc1.
What is the InChIKey of (5R,10R)-10-phenyl-6-oxaspiro[4.5]decan-4-one?
The InChIKey is WIOINGAFNSMYBX-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H18O2/c16-14-9-4-10-15(14)13(8-5-11-17-15)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2/t13-,15-/m1/s1.
What are the key properties of (5R,10R)-10-phenyl-6-oxaspiro[4.5]decan-4-one?
(5R,10R)-10-phenyl-6-oxaspiro[4.5]decan-4-one has a molecular weight of 230.31 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,10R)-10-phenyl-6-oxaspiro[4.5]decan-4-one is sourced from PubChem (CID 134957796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).