(6S)-12,12-diphenyl-10,11-dioxadispiro[4.0.46.25]dodecan-9-one

C22H22O3 — CID 100982708

IUPAC(6S)-12,12-diphenyl-10,11-dioxadispiro[4.0.46.25]dodecan-9-one
SMILESO=C1CC[C@@]2(O1)OC(c1ccccc1)(c1ccccc1)C21CCCC1
InChIInChI=1S/C22H22O3/c23-19-13-16-21(24-19)20(14-7-8-15-20)22(25-21,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2/t21-/m1/s1
InChIKeySWDJITQJGQSYAY-OAQYLSRUSA-N
MW334.41 g/mol
LogP4.55
Rot. Bonds2

About (6S)-12,12-diphenyl-10,11-dioxadispiro[4.0.46.25]dodecan-9-one

(6S)-12,12-diphenyl-10,11-dioxadispiro[4.0.46.25]dodecan-9-one (PubChem CID 100982708) has the molecular formula C22H22O3 and a molecular weight of 334.41 g/mol. Its IUPAC name is (6S)-12,12-diphenyl-10,11-dioxadispiro[4.0.46.25]dodecan-9-one.

Molecular Properties

Compound Name(6S)-12,12-diphenyl-10,11-dioxadispiro[4.0.46.25]dodecan-9-one
PubChem CID100982708
Molecular FormulaC22H22O3
Molecular Weight334.41 g/mol
Exact Mass334.16
IUPAC Name(6S)-12,12-diphenyl-10,11-dioxadispiro[4.0.46.25]dodecan-9-one
SMILESO=C1CC[C@@]2(O1)OC(c1ccccc1)(c1ccccc1)C21CCCC1
InChIInChI=1S/C22H22O3/c23-19-13-16-21(24-19)20(14-7-8-15-20)22(25-21,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2/t21-/m1/s1
InChIKeySWDJITQJGQSYAY-OAQYLSRUSA-N
XLogP4.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 14144368
(6R)-6-methyl-6-phenyloxan-2-one
CID 100971522
(5S)-5-(chloromethyl)-5-phenyloxolan-2-one
CID 102486502
4,4,5,5-tetraphenyl-1,3-dioxolan-2-one
CID 86177862
(3R)-3-methyl-3-phenylcyclohexan-1-one
CID 11506594
4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-ium 2-oxide
CID 10764148
5-methyl-5-(3-methylphenyl)oxolan-2-one
CID 10679234
5,7,7-trimethyl-4,4-diphenyl-3,6-dioxabicyclo[3.2.2]nonan-2-one
CID 2750548
(2-methyl-3,3-diphenyloxiran-2-yl)-phenylmethanone
CID 15402871
[(2R)-2-methyl-3,3-diphenyloxiran-2-yl]-phenylmethanone
CID 100931886
1,1-diphenylcyclotetradecane
CID 175822005
4-fluoro-4-methyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
CID 89419588

Frequently Asked Questions

What is the IUPAC name of (6S)-12,12-diphenyl-10,11-dioxadispiro[4.0.46.25]dodecan-9-one?
The IUPAC name of (6S)-12,12-diphenyl-10,11-dioxadispiro[4.0.46.25]dodecan-9-one (CID 100982708) is (6S)-12,12-diphenyl-10,11-dioxadispiro[4.0.46.25]dodecan-9-one.
What is the SMILES notation for (6S)-12,12-diphenyl-10,11-dioxadispiro[4.0.46.25]dodecan-9-one?
The canonical SMILES for (6S)-12,12-diphenyl-10,11-dioxadispiro[4.0.46.25]dodecan-9-one is O=C1CC[C@@]2(O1)OC(c1ccccc1)(c1ccccc1)C21CCCC1.
What is the InChIKey of (6S)-12,12-diphenyl-10,11-dioxadispiro[4.0.46.25]dodecan-9-one?
The InChIKey is SWDJITQJGQSYAY-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H22O3/c23-19-13-16-21(24-19)20(14-7-8-15-20)22(25-21,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2/t21-/m1/s1.
What are the key properties of (6S)-12,12-diphenyl-10,11-dioxadispiro[4.0.46.25]dodecan-9-one?
(6S)-12,12-diphenyl-10,11-dioxadispiro[4.0.46.25]dodecan-9-one has a molecular weight of 334.41 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-12,12-diphenyl-10,11-dioxadispiro[4.0.46.25]dodecan-9-one is sourced from PubChem (CID 100982708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).