(3S,5S)-3-phenyl-2-oxaspiro[4.5]decan-6-one

C15H18O2 — CID 102418246

IUPAC(3S,5S)-3-phenyl-2-oxaspiro[4.5]decan-6-one
SMILESO=C1CCCC[C@]12CO[C@H](c1ccccc1)C2
InChIInChI=1S/C15H18O2/c16-14-8-4-5-9-15(14)10-13(17-11-15)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2/t13-,15-/m0/s1
InChIKeyOGNDJWSCKHIPOH-ZFWWWQNUSA-N
MW230.31 g/mol
LogP3.28
Rot. Bonds1

About (3S,5S)-3-phenyl-2-oxaspiro[4.5]decan-6-one

(3S,5S)-3-phenyl-2-oxaspiro[4.5]decan-6-one (PubChem CID 102418246) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (3S,5S)-3-phenyl-2-oxaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(3S,5S)-3-phenyl-2-oxaspiro[4.5]decan-6-one
PubChem CID102418246
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(3S,5S)-3-phenyl-2-oxaspiro[4.5]decan-6-one
SMILESO=C1CCCC[C@]12CO[C@H](c1ccccc1)C2
InChIInChI=1S/C15H18O2/c16-14-8-4-5-9-15(14)10-13(17-11-15)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2/t13-,15-/m0/s1
InChIKeyOGNDJWSCKHIPOH-ZFWWWQNUSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-phenyl-2-oxaspiro[4.5]decan-6-one?
The IUPAC name of (3S,5S)-3-phenyl-2-oxaspiro[4.5]decan-6-one (CID 102418246) is (3S,5S)-3-phenyl-2-oxaspiro[4.5]decan-6-one.
What is the SMILES notation for (3S,5S)-3-phenyl-2-oxaspiro[4.5]decan-6-one?
The canonical SMILES for (3S,5S)-3-phenyl-2-oxaspiro[4.5]decan-6-one is O=C1CCCC[C@]12CO[C@H](c1ccccc1)C2.
What is the InChIKey of (3S,5S)-3-phenyl-2-oxaspiro[4.5]decan-6-one?
The InChIKey is OGNDJWSCKHIPOH-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H18O2/c16-14-8-4-5-9-15(14)10-13(17-11-15)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2/t13-,15-/m0/s1.
What are the key properties of (3S,5S)-3-phenyl-2-oxaspiro[4.5]decan-6-one?
(3S,5S)-3-phenyl-2-oxaspiro[4.5]decan-6-one has a molecular weight of 230.31 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-phenyl-2-oxaspiro[4.5]decan-6-one is sourced from PubChem (CID 102418246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).