1',1',3',3'-tetramethyl-4-phenylspiro[1,3-oxathiolane-2,2'-indene]

C21H24OS — CID 101156724

IUPAC1',1',3',3'-tetramethyl-4-phenylspiro[1,3-oxathiolane-2,2'-indene]
SMILESCC1(C)c2ccccc2C(C)(C)C12OCC(c1ccccc1)S2
InChIInChI=1S/C21H24OS/c1-19(2)16-12-8-9-13-17(16)20(3,4)21(19)22-14-18(23-21)15-10-6-5-7-11-15/h5-13,18H,14H2,1-4H3
InChIKeyMUPSZPGATQLCEU-UHFFFAOYSA-N
MW324.49 g/mol
LogP5.46
Rot. Bonds1

About 1',1',3',3'-tetramethyl-4-phenylspiro[1,3-oxathiolane-2,2'-indene]

1',1',3',3'-tetramethyl-4-phenylspiro[1,3-oxathiolane-2,2'-indene] (PubChem CID 101156724) has the molecular formula C21H24OS and a molecular weight of 324.49 g/mol. Its IUPAC name is 1',1',3',3'-tetramethyl-4-phenylspiro[1,3-oxathiolane-2,2'-indene].

Molecular Properties

Compound Name1',1',3',3'-tetramethyl-4-phenylspiro[1,3-oxathiolane-2,2'-indene]
PubChem CID101156724
Molecular FormulaC21H24OS
Molecular Weight324.49 g/mol
Exact Mass324.15
IUPAC Name1',1',3',3'-tetramethyl-4-phenylspiro[1,3-oxathiolane-2,2'-indene]
SMILESCC1(C)c2ccccc2C(C)(C)C12OCC(c1ccccc1)S2
InChIInChI=1S/C21H24OS/c1-19(2)16-12-8-9-13-17(16)20(3,4)21(19)22-14-18(23-21)15-10-6-5-7-11-15/h5-13,18H,14H2,1-4H3
InChIKeyMUPSZPGATQLCEU-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.49
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1',1',3',3'-tetramethyl-4-phenylspiro[1,3-oxathiolane-2,2'-indene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1',1',3',3'-tetramethyl-4-phenylspiro[1,3-oxathiolane-2,2'-indene]?
The IUPAC name of 1',1',3',3'-tetramethyl-4-phenylspiro[1,3-oxathiolane-2,2'-indene] (CID 101156724) is 1',1',3',3'-tetramethyl-4-phenylspiro[1,3-oxathiolane-2,2'-indene].
What is the SMILES notation for 1',1',3',3'-tetramethyl-4-phenylspiro[1,3-oxathiolane-2,2'-indene]?
The canonical SMILES for 1',1',3',3'-tetramethyl-4-phenylspiro[1,3-oxathiolane-2,2'-indene] is CC1(C)c2ccccc2C(C)(C)C12OCC(c1ccccc1)S2.
What is the InChIKey of 1',1',3',3'-tetramethyl-4-phenylspiro[1,3-oxathiolane-2,2'-indene]?
The InChIKey is MUPSZPGATQLCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24OS/c1-19(2)16-12-8-9-13-17(16)20(3,4)21(19)22-14-18(23-21)15-10-6-5-7-11-15/h5-13,18H,14H2,1-4H3.
What are the key properties of 1',1',3',3'-tetramethyl-4-phenylspiro[1,3-oxathiolane-2,2'-indene]?
1',1',3',3'-tetramethyl-4-phenylspiro[1,3-oxathiolane-2,2'-indene] has a molecular weight of 324.49 g/mol, XLogP of 5.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1',1',3',3'-tetramethyl-4-phenylspiro[1,3-oxathiolane-2,2'-indene] is sourced from PubChem (CID 101156724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).