(2S,6S)-6-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one

C15H18O3 — CID 101235287

IUPAC(2S,6S)-6-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one
SMILESC[C@H]1CCCCC12OC(=O)[C@H](c1ccccc1)O2
InChIInChI=1S/C15H18O3/c1-11-7-5-6-10-15(11)17-13(14(16)18-15)12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3/t11-,13-,15?/m0/s1
InChIKeyYPQCDTCYRMIBMB-HEIKZBPMSA-N
MW246.31 g/mol
LogP3.21
Rot. Bonds1

About (2S,6S)-6-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one

(2S,6S)-6-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one (PubChem CID 101235287) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2S,6S)-6-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(2S,6S)-6-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one
PubChem CID101235287
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name(2S,6S)-6-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one
SMILESC[C@H]1CCCCC12OC(=O)[C@H](c1ccccc1)O2
InChIInChI=1S/C15H18O3/c1-11-7-5-6-10-15(11)17-13(14(16)18-15)12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3/t11-,13-,15?/m0/s1
InChIKeyYPQCDTCYRMIBMB-HEIKZBPMSA-N
XLogP3.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S,6S)-6-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,5S,7S)-7-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one
CID 7559548
6-methyl-3-phenyl-1,4-dioxaspiro[4.5]decane
CID 71383959
(2R,5R)-2-methyl-2,5-diphenyl-1,3-dioxolan-4-one
CID 102069658
(6S,11S)-11-phenylspiro[5.5]undecan-5-one
CID 102210888
4-methyl-1,2-dioxaspiro[2.5]octane
CID 15728156
(4S,6S,7S,11R)-15-methyl-4,11-diphenyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one
CID 11080061
(5R,6S,9R)-4,4-dioxo-9-phenyl-7,10-dioxa-4λ6-thiadispiro[4.0.46.35]tridec-1-en-8-one
CID 11461357
benzoic acid;1,2-dimethylcyclohexan-1-amine
CID 173305473
(1S)-4,4-dimethyl-1-phenyl-2-oxaspiro[5.5]undecane-3,5-dione
CID 706721
9-methylspiro[3.5]nonan-3-one
CID 557033
(1R)-1-phenyl-2-azaspiro[3.4]octan-3-one
CID 125180932
6-methyl-3-methylidene-1,4-dioxaspiro[4.5]decane
CID 13168930

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-6-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one?
The IUPAC name of (2S,6S)-6-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one (CID 101235287) is (2S,6S)-6-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one.
What is the SMILES notation for (2S,6S)-6-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one?
The canonical SMILES for (2S,6S)-6-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one is C[C@H]1CCCCC12OC(=O)[C@H](c1ccccc1)O2.
What is the InChIKey of (2S,6S)-6-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one?
The InChIKey is YPQCDTCYRMIBMB-HEIKZBPMSA-N. The full InChI is InChI=1S/C15H18O3/c1-11-7-5-6-10-15(11)17-13(14(16)18-15)12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3/t11-,13-,15?/m0/s1.
What are the key properties of (2S,6S)-6-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one?
(2S,6S)-6-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one has a molecular weight of 246.31 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-6-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one is sourced from PubChem (CID 101235287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).