(2S)-2-phenyl-1-oxaspiro[4.5]decan-4-one

C15H18O2 — CID 7070990

IUPAC(2S)-2-phenyl-1-oxaspiro[4.5]decan-4-one
SMILESO=C1C[C@@H](c2ccccc2)OC12CCCCC2
InChIInChI=1S/C15H18O2/c16-14-11-13(12-7-3-1-4-8-12)17-15(14)9-5-2-6-10-15/h1,3-4,7-8,13H,2,5-6,9-11H2/t13-/m0/s1
InChIKeyCGDQZKZYUOONFO-ZDUSSCGKSA-N
MW230.31 g/mol
LogP3.42
Rot. Bonds1

About (2S)-2-phenyl-1-oxaspiro[4.5]decan-4-one

(2S)-2-phenyl-1-oxaspiro[4.5]decan-4-one (PubChem CID 7070990) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2S)-2-phenyl-1-oxaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name(2S)-2-phenyl-1-oxaspiro[4.5]decan-4-one
PubChem CID7070990
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(2S)-2-phenyl-1-oxaspiro[4.5]decan-4-one
SMILESO=C1C[C@@H](c2ccccc2)OC12CCCCC2
InChIInChI=1S/C15H18O2/c16-14-11-13(12-7-3-1-4-8-12)17-15(14)9-5-2-6-10-15/h1,3-4,7-8,13H,2,5-6,9-11H2/t13-/m0/s1
InChIKeyCGDQZKZYUOONFO-ZDUSSCGKSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)-1-oxaspiro[4.5]decan-4-one
CID 71394804
(3S,5S)-3-phenyl-2-oxaspiro[4.5]decan-6-one
CID 102418246
2,6-diphenyloxan-4-one
CID 500287
3,3-dimethyl-6-phenyloxan-2-one
CID 171853852
(1S)-2-methyl-1-phenyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione
CID 137327049
(6S,11S)-11-phenylspiro[5.5]undecan-5-one
CID 102210888
1-phenoxyspiro[3.5]nonan-3-one
CID 66368840
5-phenyloxolane-2,3-dione
CID 14450727
3-phenyl-1,2,4,5-tetraoxaspiro[5.5]undecane
CID 10847398
(2S,3R)-2-phenyl-1-azaspiro[2.5]octan-4-one
CID 135031754
2-(3-oxo-1-phenyl-2-azaspiro[3.5]nonan-2-yl)-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 4267359
(2R,4aR,8aS)-4a-hydroxy-1-methyl-2-phenyl-1,2,3,5,6,7,8,8a-octahydroquinolin-1-ium-4-one
CID 11889560

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-1-oxaspiro[4.5]decan-4-one?
The IUPAC name of (2S)-2-phenyl-1-oxaspiro[4.5]decan-4-one (CID 7070990) is (2S)-2-phenyl-1-oxaspiro[4.5]decan-4-one.
What is the SMILES notation for (2S)-2-phenyl-1-oxaspiro[4.5]decan-4-one?
The canonical SMILES for (2S)-2-phenyl-1-oxaspiro[4.5]decan-4-one is O=C1C[C@@H](c2ccccc2)OC12CCCCC2.
What is the InChIKey of (2S)-2-phenyl-1-oxaspiro[4.5]decan-4-one?
The InChIKey is CGDQZKZYUOONFO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18O2/c16-14-11-13(12-7-3-1-4-8-12)17-15(14)9-5-2-6-10-15/h1,3-4,7-8,13H,2,5-6,9-11H2/t13-/m0/s1.
What are the key properties of (2S)-2-phenyl-1-oxaspiro[4.5]decan-4-one?
(2S)-2-phenyl-1-oxaspiro[4.5]decan-4-one has a molecular weight of 230.31 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-1-oxaspiro[4.5]decan-4-one is sourced from PubChem (CID 7070990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).