(4S)-8,8-diphenyl-4-(2-phenylethyl)-6,10-dioxaspiro[4.5]decan-2-one

C28H28O3 — CID 132558693

IUPAC(4S)-8,8-diphenyl-4-(2-phenylethyl)-6,10-dioxaspiro[4.5]decan-2-one
SMILESO=C1C[C@H](CCc2ccccc2)C2(C1)OCC(c1ccccc1)(c1ccccc1)CO2
InChIInChI=1S/C28H28O3/c29-26-18-25(17-16-22-10-4-1-5-11-22)28(19-26)30-20-27(21-31-28,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,25H,16-21H2/t25-/m0/s1
InChIKeyGSSJVQVZMAZGCC-VWLOTQADSA-N
MW412.53 g/mol
LogP5.33
Rot. Bonds5

About (4S)-8,8-diphenyl-4-(2-phenylethyl)-6,10-dioxaspiro[4.5]decan-2-one

(4S)-8,8-diphenyl-4-(2-phenylethyl)-6,10-dioxaspiro[4.5]decan-2-one (PubChem CID 132558693) has the molecular formula C28H28O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is (4S)-8,8-diphenyl-4-(2-phenylethyl)-6,10-dioxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(4S)-8,8-diphenyl-4-(2-phenylethyl)-6,10-dioxaspiro[4.5]decan-2-one
PubChem CID132558693
Molecular FormulaC28H28O3
Molecular Weight412.53 g/mol
Exact Mass412.20
IUPAC Name(4S)-8,8-diphenyl-4-(2-phenylethyl)-6,10-dioxaspiro[4.5]decan-2-one
SMILESO=C1C[C@H](CCc2ccccc2)C2(C1)OCC(c1ccccc1)(c1ccccc1)CO2
InChIInChI=1S/C28H28O3/c29-26-18-25(17-16-22-10-4-1-5-11-22)28(19-26)30-20-27(21-31-28,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,25H,16-21H2/t25-/m0/s1
InChIKeyGSSJVQVZMAZGCC-VWLOTQADSA-N
XLogP5.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-8,8-diphenyl-4-(2-phenylethyl)-6,10-dioxaspiro[4.5]decan-2-one with MolForge

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Related Compounds

3-[(4-Fluorophenyl)methyl]-8,8-dimethyl-7,9-dioxaspiro[4.5]decan-4-one
CID 90097218
1-[(2R,5S,6R)-5-methyl-6-propan-2-yl-2-(2,2,2-triphenylethoxy)oxan-2-yl]propan-2-one
CID 14138991
(1S,5R,7S)-1-(2,2-diphenylethenyl)-7-phenyl-3-oxabicyclo[3.2.1]octan-8-one
CID 44605938
(1S,5R,7S)-1-(2,2-diphenylethenyl)-7-(4-methylphenyl)-3-oxabicyclo[3.2.1]octan-8-one
CID 44606103
(3R,4R)-3-benzoyl-4-butyl-8,8-diphenyl-6,10-dioxaspiro[4.5]decan-2-one
CID 101141661
(4S)-8,8-dimethyl-4-(4-phenylbutyl)-6,10-dioxaspiro[4.5]decan-2-one
CID 132558690
(4S)-8,8-diphenyl-4-(4-phenylbutyl)-6,10-dioxaspiro[4.5]decan-2-one
CID 132558691
(4S)-8,8-diphenyl-4-(4-phenylmethoxybutyl)-6,10-dioxaspiro[4.5]decan-2-one
CID 132558692
(4S)-4-hexyl-8,8-diphenyl-6,10-dioxaspiro[4.5]decan-2-one
CID 132558694
(4S)-4-(6-chlorohexyl)-8,8-diphenyl-6,10-dioxaspiro[4.5]decan-2-one
CID 132558695
(4S)-8,8-diphenyl-4-(3-trimethylsilylpropyl)-6,10-dioxaspiro[4.5]decan-2-one
CID 132558696
8,8-Dimethyl-4-methylidene-1,3-diphenyl-7,9-dioxaspiro[4.5]dec-2-ene-6,10-dione
CID 178251561

Frequently Asked Questions

What is the IUPAC name of (4S)-8,8-diphenyl-4-(2-phenylethyl)-6,10-dioxaspiro[4.5]decan-2-one?
The IUPAC name of (4S)-8,8-diphenyl-4-(2-phenylethyl)-6,10-dioxaspiro[4.5]decan-2-one (CID 132558693) is (4S)-8,8-diphenyl-4-(2-phenylethyl)-6,10-dioxaspiro[4.5]decan-2-one.
What is the SMILES notation for (4S)-8,8-diphenyl-4-(2-phenylethyl)-6,10-dioxaspiro[4.5]decan-2-one?
The canonical SMILES for (4S)-8,8-diphenyl-4-(2-phenylethyl)-6,10-dioxaspiro[4.5]decan-2-one is O=C1C[C@H](CCc2ccccc2)C2(C1)OCC(c1ccccc1)(c1ccccc1)CO2.
What is the InChIKey of (4S)-8,8-diphenyl-4-(2-phenylethyl)-6,10-dioxaspiro[4.5]decan-2-one?
The InChIKey is GSSJVQVZMAZGCC-VWLOTQADSA-N. The full InChI is InChI=1S/C28H28O3/c29-26-18-25(17-16-22-10-4-1-5-11-22)28(19-26)30-20-27(21-31-28,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,25H,16-21H2/t25-/m0/s1.
What are the key properties of (4S)-8,8-diphenyl-4-(2-phenylethyl)-6,10-dioxaspiro[4.5]decan-2-one?
(4S)-8,8-diphenyl-4-(2-phenylethyl)-6,10-dioxaspiro[4.5]decan-2-one has a molecular weight of 412.53 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8,8-diphenyl-4-(2-phenylethyl)-6,10-dioxaspiro[4.5]decan-2-one is sourced from PubChem (CID 132558693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).