(2R,5S,7S)-7-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one

C15H18O3 — CID 7559548

IUPAC(2R,5S,7S)-7-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one
SMILESC[C@H]1CCC[C@@]2(C1)OC(=O)[C@@H](c1ccccc1)O2
InChIInChI=1S/C15H18O3/c1-11-6-5-9-15(10-11)17-13(14(16)18-15)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3/t11-,13+,15-/m0/s1
InChIKeyAHZFQHGOXINGBX-LNSITVRQSA-N
MW246.31 g/mol
LogP3.21
Rot. Bonds1

About (2R,5S,7S)-7-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one

(2R,5S,7S)-7-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one (PubChem CID 7559548) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2R,5S,7S)-7-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(2R,5S,7S)-7-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one
PubChem CID7559548
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name(2R,5S,7S)-7-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one
SMILESC[C@H]1CCC[C@@]2(C1)OC(=O)[C@@H](c1ccccc1)O2
InChIInChI=1S/C15H18O3/c1-11-6-5-9-15(10-11)17-13(14(16)18-15)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3/t11-,13+,15-/m0/s1
InChIKeyAHZFQHGOXINGBX-LNSITVRQSA-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

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Related Compounds

(2S,6S)-6-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one
CID 101235287
(2R,5R)-2-methyl-2,5-diphenyl-1,3-dioxolan-4-one
CID 102069658
(4S,6S,7S,11R)-15-methyl-4,11-diphenyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one
CID 11080061
(2R,3R,7S)-2-N,3-N-dibenzyl-7-methyl-1,4-dioxaspiro[4.14]nonadecane-2,3-dicarboxamide
CID 11455610
(5R,6S,9R)-4,4-dioxo-9-phenyl-7,10-dioxa-4λ6-thiadispiro[4.0.46.35]tridec-1-en-8-one
CID 11461357
3',7-dimethylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one
CID 559197
1-[(1'S,2S,4'R,5S)-7',7'-dimethyl-4-oxo-5-phenylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-di(propan-2-yl)methanesulfonamide
CID 11762146
9-methyl-3-phenyl-1,2,4,5-tetraoxaspiro[5.5]undecane
CID 11161025
trans-(1S,3R)-3-methyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 45259850
(2'R,4R)-1,2'-dimethylspiro[3,1-benzoxazine-4,1'-cyclopentane]-2-one
CID 14320176
3-methyl-1-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol
CID 104549999
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935

Frequently Asked Questions

What is the IUPAC name of (2R,5S,7S)-7-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one?
The IUPAC name of (2R,5S,7S)-7-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one (CID 7559548) is (2R,5S,7S)-7-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one.
What is the SMILES notation for (2R,5S,7S)-7-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one?
The canonical SMILES for (2R,5S,7S)-7-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one is C[C@H]1CCC[C@@]2(C1)OC(=O)[C@@H](c1ccccc1)O2.
What is the InChIKey of (2R,5S,7S)-7-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one?
The InChIKey is AHZFQHGOXINGBX-LNSITVRQSA-N. The full InChI is InChI=1S/C15H18O3/c1-11-6-5-9-15(10-11)17-13(14(16)18-15)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3/t11-,13+,15-/m0/s1.
What are the key properties of (2R,5S,7S)-7-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one?
(2R,5S,7S)-7-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 (2R,5S,7S)-7-methyl-2-phenyl-1,4-dioxaspiro[4.5]decan-3-one is sourced from PubChem (CID 7559548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).