6-tert-butyl-3-(2,2-dimethylpropyl)-1,1,3,4-tetramethyl-2H-indene

C22H36 — CID 615183

IUPAC6-tert-butyl-3-(2,2-dimethylpropyl)-1,1,3,4-tetramethyl-2H-indene
SMILESCc1cc(C(C)(C)C)cc2c1C(C)(CC(C)(C)C)CC2(C)C
InChIInChI=1S/C22H36/c1-15-11-16(20(5,6)7)12-17-18(15)22(10,13-19(2,3)4)14-21(17,8)9/h11-12H,13-14H2,1-10H3
InChIKeySCWFKVSEAMMTHA-UHFFFAOYSA-N
MW300.53 g/mol
LogP6.67
Rot. Bonds1

About 6-tert-butyl-3-(2,2-dimethylpropyl)-1,1,3,4-tetramethyl-2H-indene

6-tert-butyl-3-(2,2-dimethylpropyl)-1,1,3,4-tetramethyl-2H-indene (PubChem CID 615183) has the molecular formula C22H36 and a molecular weight of 300.53 g/mol. Its IUPAC name is 6-tert-butyl-3-(2,2-dimethylpropyl)-1,1,3,4-tetramethyl-2H-indene.

Molecular Properties

Compound Name6-tert-butyl-3-(2,2-dimethylpropyl)-1,1,3,4-tetramethyl-2H-indene
PubChem CID615183
Molecular FormulaC22H36
Molecular Weight300.53 g/mol
Exact Mass300.28
IUPAC Name6-tert-butyl-3-(2,2-dimethylpropyl)-1,1,3,4-tetramethyl-2H-indene
SMILESCc1cc(C(C)(C)C)cc2c1C(C)(CC(C)(C)C)CC2(C)C
InChIInChI=1S/C22H36/c1-15-11-16(20(5,6)7)12-17-18(15)22(10,13-19(2,3)4)14-21(17,8)9/h11-12H,13-14H2,1-10H3
InChIKeySCWFKVSEAMMTHA-UHFFFAOYSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-(2,2-dimethylpropyl)-1,1,3,4-tetramethyl-2H-indene?
The IUPAC name of 6-tert-butyl-3-(2,2-dimethylpropyl)-1,1,3,4-tetramethyl-2H-indene (CID 615183) is 6-tert-butyl-3-(2,2-dimethylpropyl)-1,1,3,4-tetramethyl-2H-indene.
What is the SMILES notation for 6-tert-butyl-3-(2,2-dimethylpropyl)-1,1,3,4-tetramethyl-2H-indene?
The canonical SMILES for 6-tert-butyl-3-(2,2-dimethylpropyl)-1,1,3,4-tetramethyl-2H-indene is Cc1cc(C(C)(C)C)cc2c1C(C)(CC(C)(C)C)CC2(C)C.
What is the InChIKey of 6-tert-butyl-3-(2,2-dimethylpropyl)-1,1,3,4-tetramethyl-2H-indene?
The InChIKey is SCWFKVSEAMMTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36/c1-15-11-16(20(5,6)7)12-17-18(15)22(10,13-19(2,3)4)14-21(17,8)9/h11-12H,13-14H2,1-10H3.
What are the key properties of 6-tert-butyl-3-(2,2-dimethylpropyl)-1,1,3,4-tetramethyl-2H-indene?
6-tert-butyl-3-(2,2-dimethylpropyl)-1,1,3,4-tetramethyl-2H-indene has a molecular weight of 300.53 g/mol, XLogP of 6.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-(2,2-dimethylpropyl)-1,1,3,4-tetramethyl-2H-indene is sourced from PubChem (CID 615183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).