4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene

C15H22 — CID 142235418

IUPAC4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene
SMILESCCc1ccc(C(C)(C)C)c2c1CCC2
InChIInChI=1S/C15H22/c1-5-11-9-10-14(15(2,3)4)13-8-6-7-12(11)13/h9-10H,5-8H2,1-4H3
InChIKeyJBORDRRWKPUBTK-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.04
Rot. Bonds1

About 4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene

4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene (PubChem CID 142235418) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene
PubChem CID142235418
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene
SMILESCCc1ccc(C(C)(C)C)c2c1CCC2
InChIInChI=1S/C15H22/c1-5-11-9-10-14(15(2,3)4)13-8-6-7-12(11)13/h9-10H,5-8H2,1-4H3
InChIKeyJBORDRRWKPUBTK-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene?
The IUPAC name of 4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene (CID 142235418) is 4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene?
The canonical SMILES for 4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene is CCc1ccc(C(C)(C)C)c2c1CCC2.
What is the InChIKey of 4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene?
The InChIKey is JBORDRRWKPUBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-5-11-9-10-14(15(2,3)4)13-8-6-7-12(11)13/h9-10H,5-8H2,1-4H3.
What are the key properties of 4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene?
4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene has a molecular weight of 202.34 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 142235418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).