(5R,7S,9R)-9-methyl-7-phenyl-2,8-dioxaspiro[4.5]decane-1,3-dione

C15H16O4 — CID 125485081

IUPAC(5R,7S,9R)-9-methyl-7-phenyl-2,8-dioxaspiro[4.5]decane-1,3-dione
SMILESC[C@@H]1C[C@]2(CC(=O)OC2=O)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C15H16O4/c1-10-7-15(9-13(16)19-14(15)17)8-12(18-10)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12+,15-/m1/s1
InChIKeyHUMRVJKFDDMYET-IFUGULHKSA-N
MW260.29 g/mol
LogP2.39
Rot. Bonds1

About (5R,7S,9R)-9-methyl-7-phenyl-2,8-dioxaspiro[4.5]decane-1,3-dione

(5R,7S,9R)-9-methyl-7-phenyl-2,8-dioxaspiro[4.5]decane-1,3-dione (PubChem CID 125485081) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is (5R,7S,9R)-9-methyl-7-phenyl-2,8-dioxaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name(5R,7S,9R)-9-methyl-7-phenyl-2,8-dioxaspiro[4.5]decane-1,3-dione
PubChem CID125485081
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name(5R,7S,9R)-9-methyl-7-phenyl-2,8-dioxaspiro[4.5]decane-1,3-dione
SMILESC[C@@H]1C[C@]2(CC(=O)OC2=O)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C15H16O4/c1-10-7-15(9-13(16)19-14(15)17)8-12(18-10)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12+,15-/m1/s1
InChIKeyHUMRVJKFDDMYET-IFUGULHKSA-N
XLogP2.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (5R,7S,9R)-9-methyl-7-phenyl-2,8-dioxaspiro[4.5]decane-1,3-dione with MolForge

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Related Compounds

(2S,5S)-2-methyl-5-phenyloxolane
CID 71447018
(2S,4S,6S)-2-methyl-6-phenyloxan-4-ol
CID 134981811
(2S)-2-methyl-6-phenyl-1,4-dioxane
CID 130461475
7,8-dimethyl-2-oxa-7-azaspiro[4.4]nonane-1,3-dione
CID 81468530
(2S,6S)-2-methyl-6-phenylmorpholine
CID 36689632
3,3-dimethyl-5-phenyloxolane-2-carbaldehyde
CID 175344620
2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]acetic acid
CID 100637021
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
2,6-diphenyloxan-4-one
CID 500287
(2R,6R)-2-methyl-4-morpholin-4-ylsulfonyl-6-phenylmorpholine
CID 98786694
3,3-dimethyl-6-phenyloxan-2-one
CID 171853852
(2R)-2-methyl-3-phenyloxirane
CID 12040001

Frequently Asked Questions

What is the IUPAC name of (5R,7S,9R)-9-methyl-7-phenyl-2,8-dioxaspiro[4.5]decane-1,3-dione?
The IUPAC name of (5R,7S,9R)-9-methyl-7-phenyl-2,8-dioxaspiro[4.5]decane-1,3-dione (CID 125485081) is (5R,7S,9R)-9-methyl-7-phenyl-2,8-dioxaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for (5R,7S,9R)-9-methyl-7-phenyl-2,8-dioxaspiro[4.5]decane-1,3-dione?
The canonical SMILES for (5R,7S,9R)-9-methyl-7-phenyl-2,8-dioxaspiro[4.5]decane-1,3-dione is C[C@@H]1C[C@]2(CC(=O)OC2=O)C[C@@H](c2ccccc2)O1.
What is the InChIKey of (5R,7S,9R)-9-methyl-7-phenyl-2,8-dioxaspiro[4.5]decane-1,3-dione?
The InChIKey is HUMRVJKFDDMYET-IFUGULHKSA-N. The full InChI is InChI=1S/C15H16O4/c1-10-7-15(9-13(16)19-14(15)17)8-12(18-10)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12+,15-/m1/s1.
What are the key properties of (5R,7S,9R)-9-methyl-7-phenyl-2,8-dioxaspiro[4.5]decane-1,3-dione?
(5R,7S,9R)-9-methyl-7-phenyl-2,8-dioxaspiro[4.5]decane-1,3-dione has a molecular weight of 260.29 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S,9R)-9-methyl-7-phenyl-2,8-dioxaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 125485081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).