5-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-trimethylsilylethenyl]thiophene-2-carboxylic acid

C24H32O2SSi — CID 66615111

IUPAC5-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-trimethylsilylethenyl]thiophene-2-carboxylic acid
SMILESCC1(C)CCC(C)(C)c2cc(C(=Cc3ccc(C(=O)O)s3)[Si](C)(C)C)ccc21
InChIInChI=1S/C24H32O2SSi/c1-23(2)12-13-24(3,4)19-14-16(8-10-18(19)23)21(28(5,6)7)15-17-9-11-20(27-17)22(25)26/h8-11,14-15H,12-13H2,1-7H3,(H,25,26)
InChIKeyBEQPMSDRYIUHAZ-UHFFFAOYSA-N
MW412.67 g/mol
LogP7.21
Rot. Bonds4

About 5-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-trimethylsilylethenyl]thiophene-2-carboxylic acid

5-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-trimethylsilylethenyl]thiophene-2-carboxylic acid (PubChem CID 66615111) has the molecular formula C24H32O2SSi and a molecular weight of 412.67 g/mol. Its IUPAC name is 5-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-trimethylsilylethenyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-trimethylsilylethenyl]thiophene-2-carboxylic acid
PubChem CID66615111
Molecular FormulaC24H32O2SSi
Molecular Weight412.67 g/mol
Exact Mass412.19
IUPAC Name5-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-trimethylsilylethenyl]thiophene-2-carboxylic acid
SMILESCC1(C)CCC(C)(C)c2cc(C(=Cc3ccc(C(=O)O)s3)[Si](C)(C)C)ccc21
InChIInChI=1S/C24H32O2SSi/c1-23(2)12-13-24(3,4)19-14-16(8-10-18(19)23)21(28(5,6)7)15-17-9-11-20(27-17)22(25)26/h8-11,14-15H,12-13H2,1-7H3,(H,25,26)
InChIKeyBEQPMSDRYIUHAZ-UHFFFAOYSA-N
XLogP7.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.67
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-trimethylsilylethenyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-trimethylsilylethenyl]thiophene-2-carboxylic acid (CID 66615111) is 5-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-trimethylsilylethenyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-trimethylsilylethenyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-trimethylsilylethenyl]thiophene-2-carboxylic acid is CC1(C)CCC(C)(C)c2cc(C(=Cc3ccc(C(=O)O)s3)[Si](C)(C)C)ccc21.
What is the InChIKey of 5-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-trimethylsilylethenyl]thiophene-2-carboxylic acid?
The InChIKey is BEQPMSDRYIUHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O2SSi/c1-23(2)12-13-24(3,4)19-14-16(8-10-18(19)23)21(28(5,6)7)15-17-9-11-20(27-17)22(25)26/h8-11,14-15H,12-13H2,1-7H3,(H,25,26).
What are the key properties of 5-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-trimethylsilylethenyl]thiophene-2-carboxylic acid?
5-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-trimethylsilylethenyl]thiophene-2-carboxylic acid has a molecular weight of 412.67 g/mol, XLogP of 7.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-trimethylsilylethenyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 66615111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).