(2S)-8,8-dimethyl-2-phenyl-6-oxaspiro[4.5]decane-4,9-dione

C17H20O3 — CID 134951866

IUPAC(2S)-8,8-dimethyl-2-phenyl-6-oxaspiro[4.5]decane-4,9-dione
SMILESCC1(C)COC2(CC1=O)C[C@H](c1ccccc1)CC2=O
InChIInChI=1S/C17H20O3/c1-16(2)11-20-17(10-15(16)19)9-13(8-14(17)18)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/t13-,17?/m1/s1
InChIKeyNRVDKOBAJFALLS-FWJOYPJLSA-N
MW272.34 g/mol
LogP2.89
Rot. Bonds1

About (2S)-8,8-dimethyl-2-phenyl-6-oxaspiro[4.5]decane-4,9-dione

(2S)-8,8-dimethyl-2-phenyl-6-oxaspiro[4.5]decane-4,9-dione (PubChem CID 134951866) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is (2S)-8,8-dimethyl-2-phenyl-6-oxaspiro[4.5]decane-4,9-dione.

Molecular Properties

Compound Name(2S)-8,8-dimethyl-2-phenyl-6-oxaspiro[4.5]decane-4,9-dione
PubChem CID134951866
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name(2S)-8,8-dimethyl-2-phenyl-6-oxaspiro[4.5]decane-4,9-dione
SMILESCC1(C)COC2(CC1=O)C[C@H](c1ccccc1)CC2=O
InChIInChI=1S/C17H20O3/c1-16(2)11-20-17(10-15(16)19)9-13(8-14(17)18)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/t13-,17?/m1/s1
InChIKeyNRVDKOBAJFALLS-FWJOYPJLSA-N
XLogP2.89
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-8,8-dimethyl-2-phenyl-6-oxaspiro[4.5]decane-4,9-dione 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

6-Cyclopentyl-6-phenethyl-tetrahydropyran-2,4-dione
CID 16076101
2-[4-(2-Fluorophenyl)-2,6,6-trimethylcyclohexa-2,4-dien-1-yl]-4-(oxan-4-ylmethyl)cyclopentane-1,3-dione
CID 68334656
6-[2-(3-Tert-butylphenyl)ethyl]-6-cyclopentyl-tetrahydropyran-2,4-dione
CID 16728679
2,2-Dimethyl-5-benzyl-4-tetrahydropyranone
CID 13416038
1-[(2S,3R,6S)-2-(2-phenylethyl)-6-prop-2-enyloxan-3-yl]ethanone
CID 101377743
cis-(2R,4S)-4-tert-butyl-2-ethenyl-2-phenylmethoxycyclopentan-1-one
CID 101857701
(5R,10R)-10-(2-phenylethyl)-7-oxaspiro[4.5]decane-4,6-dione
CID 134853462
(5R,10R)-10-phenyl-6-oxaspiro[4.5]decan-4-one
CID 134957796
2-(4-Fluorophenyl)-2-methyl-1-(oxan-3-yl)propan-1-one
CID 107135895
1-[5-[5-(4-Fluorophenyl)octyl]-2-propan-2-yloxan-2-yl]ethanone
CID 145191902
(3S)-3-[2-(2-fluorophenyl)propan-2-yl]oxan-4-one
CID 160150864
(5R,10R)-2-phenyl-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one
CID 102132296

Frequently Asked Questions

What is the IUPAC name of (2S)-8,8-dimethyl-2-phenyl-6-oxaspiro[4.5]decane-4,9-dione?
The IUPAC name of (2S)-8,8-dimethyl-2-phenyl-6-oxaspiro[4.5]decane-4,9-dione (CID 134951866) is (2S)-8,8-dimethyl-2-phenyl-6-oxaspiro[4.5]decane-4,9-dione.
What is the SMILES notation for (2S)-8,8-dimethyl-2-phenyl-6-oxaspiro[4.5]decane-4,9-dione?
The canonical SMILES for (2S)-8,8-dimethyl-2-phenyl-6-oxaspiro[4.5]decane-4,9-dione is CC1(C)COC2(CC1=O)C[C@H](c1ccccc1)CC2=O.
What is the InChIKey of (2S)-8,8-dimethyl-2-phenyl-6-oxaspiro[4.5]decane-4,9-dione?
The InChIKey is NRVDKOBAJFALLS-FWJOYPJLSA-N. The full InChI is InChI=1S/C17H20O3/c1-16(2)11-20-17(10-15(16)19)9-13(8-14(17)18)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/t13-,17?/m1/s1.
What are the key properties of (2S)-8,8-dimethyl-2-phenyl-6-oxaspiro[4.5]decane-4,9-dione?
(2S)-8,8-dimethyl-2-phenyl-6-oxaspiro[4.5]decane-4,9-dione has a molecular weight of 272.34 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-8,8-dimethyl-2-phenyl-6-oxaspiro[4.5]decane-4,9-dione is sourced from PubChem (CID 134951866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).