4,4-di(propan-2-yl)indeno[1,2-b]thiophene

C17H20S — CID 171734116

IUPAC4,4-di(propan-2-yl)indeno[1,2-b]thiophene
SMILESCC(C)C1(C(C)C)c2ccccc2-c2sccc21
InChIInChI=1S/C17H20S/c1-11(2)17(12(3)4)14-8-6-5-7-13(14)16-15(17)9-10-18-16/h5-12H,1-4H3
InChIKeyDQQJQGCZAZHHDM-UHFFFAOYSA-N
MW256.41 g/mol
LogP5.33
Rot. Bonds2

About 4,4-di(propan-2-yl)indeno[1,2-b]thiophene

4,4-di(propan-2-yl)indeno[1,2-b]thiophene (PubChem CID 171734116) has the molecular formula C17H20S and a molecular weight of 256.41 g/mol. Its IUPAC name is 4,4-di(propan-2-yl)indeno[1,2-b]thiophene.

Molecular Properties

Compound Name4,4-di(propan-2-yl)indeno[1,2-b]thiophene
PubChem CID171734116
Molecular FormulaC17H20S
Molecular Weight256.41 g/mol
Exact Mass256.13
IUPAC Name4,4-di(propan-2-yl)indeno[1,2-b]thiophene
SMILESCC(C)C1(C(C)C)c2ccccc2-c2sccc21
InChIInChI=1S/C17H20S/c1-11(2)17(12(3)4)14-8-6-5-7-13(14)16-15(17)9-10-18-16/h5-12H,1-4H3
InChIKeyDQQJQGCZAZHHDM-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.41
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-iodo-9,9-di(propan-2-yl)fluorene
CID 23072844
4,4-dihexylindeno[1,2-b]thiophene
CID 58202963
4-[(4-phenylindeno[1,2-b]thiophen-4-yl)methyl]pyridine
CID 19606083
3-[[4-(pyridin-4-ylmethyl)indeno[1,2-b]thiophen-4-yl]methyl]pyridine
CID 19027123
3,3,14,14-tetramethyl-11,22-dithiahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene
CID 142318096
9-ethyl-9-propan-2-ylfluorene
CID 142424661
2-[1-[9-[1-(oxiran-2-yl)ethyl]fluoren-9-yl]ethyl]oxirane
CID 139994136
1-methyl-2-[2-methyl-7,7-di(propan-2-yl)fluoreno[4,3-b][1]benzofuran-1-yl]pyridin-1-ium
CID 155648896
[(5R,10R)-5,10-dimethyl-10-tri(propan-2-yl)silylindeno[2,1-a]inden-5-yl]-tri(propan-2-yl)silane
CID 24951131
4-methyl-4-phenyl-6-propan-2-yl-5H-1-benzothiophen-7-amine
CID 155105891
10-chloro-7,7-dimethyl-3-thia-9-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene
CID 138500591
4-hydroxy-4-(1-methylpiperidin-4-yl)benzo[f][1]benzothiol-9-one
CID 15728744

Frequently Asked Questions

What is the IUPAC name of 4,4-di(propan-2-yl)indeno[1,2-b]thiophene?
The IUPAC name of 4,4-di(propan-2-yl)indeno[1,2-b]thiophene (CID 171734116) is 4,4-di(propan-2-yl)indeno[1,2-b]thiophene.
What is the SMILES notation for 4,4-di(propan-2-yl)indeno[1,2-b]thiophene?
The canonical SMILES for 4,4-di(propan-2-yl)indeno[1,2-b]thiophene is CC(C)C1(C(C)C)c2ccccc2-c2sccc21.
What is the InChIKey of 4,4-di(propan-2-yl)indeno[1,2-b]thiophene?
The InChIKey is DQQJQGCZAZHHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20S/c1-11(2)17(12(3)4)14-8-6-5-7-13(14)16-15(17)9-10-18-16/h5-12H,1-4H3.
What are the key properties of 4,4-di(propan-2-yl)indeno[1,2-b]thiophene?
4,4-di(propan-2-yl)indeno[1,2-b]thiophene has a molecular weight of 256.41 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-di(propan-2-yl)indeno[1,2-b]thiophene is sourced from PubChem (CID 171734116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).