5-tert-butyl-3,3-dimethyl-7-(1-methylcyclopropyl)-1,2-dihydroindene

C19H28 — CID 171549498

IUPAC5-tert-butyl-3,3-dimethyl-7-(1-methylcyclopropyl)-1,2-dihydroindene
SMILESCC(C)(C)c1cc2c(c(C3(C)CC3)c1)CCC2(C)C
InChIInChI=1S/C19H28/c1-17(2,3)13-11-15-14(7-8-18(15,4)5)16(12-13)19(6)9-10-19/h11-12H,7-10H2,1-6H3
InChIKeyLFUGNTLWPPESSI-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.26
Rot. Bonds1

About 5-tert-butyl-3,3-dimethyl-7-(1-methylcyclopropyl)-1,2-dihydroindene

5-tert-butyl-3,3-dimethyl-7-(1-methylcyclopropyl)-1,2-dihydroindene (PubChem CID 171549498) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is 5-tert-butyl-3,3-dimethyl-7-(1-methylcyclopropyl)-1,2-dihydroindene.

Molecular Properties

Compound Name5-tert-butyl-3,3-dimethyl-7-(1-methylcyclopropyl)-1,2-dihydroindene
PubChem CID171549498
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name5-tert-butyl-3,3-dimethyl-7-(1-methylcyclopropyl)-1,2-dihydroindene
SMILESCC(C)(C)c1cc2c(c(C3(C)CC3)c1)CCC2(C)C
InChIInChI=1S/C19H28/c1-17(2,3)13-11-15-14(7-8-18(15,4)5)16(12-13)19(6)9-10-19/h11-12H,7-10H2,1-6H3
InChIKeyLFUGNTLWPPESSI-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-tert-butyl-3,3-dimethyl-7-(1-methylcyclopropyl)-1,2-dihydroindene 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 5-tert-butyl-3,3-dimethyl-7-(1-methylcyclopropyl)-1,2-dihydroindene?
The IUPAC name of 5-tert-butyl-3,3-dimethyl-7-(1-methylcyclopropyl)-1,2-dihydroindene (CID 171549498) is 5-tert-butyl-3,3-dimethyl-7-(1-methylcyclopropyl)-1,2-dihydroindene.
What is the SMILES notation for 5-tert-butyl-3,3-dimethyl-7-(1-methylcyclopropyl)-1,2-dihydroindene?
The canonical SMILES for 5-tert-butyl-3,3-dimethyl-7-(1-methylcyclopropyl)-1,2-dihydroindene is CC(C)(C)c1cc2c(c(C3(C)CC3)c1)CCC2(C)C.
What is the InChIKey of 5-tert-butyl-3,3-dimethyl-7-(1-methylcyclopropyl)-1,2-dihydroindene?
The InChIKey is LFUGNTLWPPESSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28/c1-17(2,3)13-11-15-14(7-8-18(15,4)5)16(12-13)19(6)9-10-19/h11-12H,7-10H2,1-6H3.
What are the key properties of 5-tert-butyl-3,3-dimethyl-7-(1-methylcyclopropyl)-1,2-dihydroindene?
5-tert-butyl-3,3-dimethyl-7-(1-methylcyclopropyl)-1,2-dihydroindene has a molecular weight of 256.43 g/mol, XLogP of 5.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3,3-dimethyl-7-(1-methylcyclopropyl)-1,2-dihydroindene is sourced from PubChem (CID 171549498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).