2-tert-butyl-5-propan-2-yl-2,3-dihydro-1H-indene

C16H24 — CID 140575899

IUPAC2-tert-butyl-5-propan-2-yl-2,3-dihydro-1H-indene
SMILESCC(C)c1ccc2c(c1)CC(C(C)(C)C)C2
InChIInChI=1S/C16H24/c1-11(2)12-6-7-13-9-15(16(3,4)5)10-14(13)8-12/h6-8,11,15H,9-10H2,1-5H3
InChIKeyXTSNKSRXPCHPJN-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.57
Rot. Bonds1

About 2-tert-butyl-5-propan-2-yl-2,3-dihydro-1H-indene

2-tert-butyl-5-propan-2-yl-2,3-dihydro-1H-indene (PubChem CID 140575899) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-tert-butyl-5-propan-2-yl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-tert-butyl-5-propan-2-yl-2,3-dihydro-1H-indene
PubChem CID140575899
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name2-tert-butyl-5-propan-2-yl-2,3-dihydro-1H-indene
SMILESCC(C)c1ccc2c(c1)CC(C(C)(C)C)C2
InChIInChI=1S/C16H24/c1-11(2)12-6-7-13-9-15(16(3,4)5)10-14(13)8-12/h6-8,11,15H,9-10H2,1-5H3
InChIKeyXTSNKSRXPCHPJN-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-propan-2-yl-2,3-dihydro-1H-indene?
The IUPAC name of 2-tert-butyl-5-propan-2-yl-2,3-dihydro-1H-indene (CID 140575899) is 2-tert-butyl-5-propan-2-yl-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-tert-butyl-5-propan-2-yl-2,3-dihydro-1H-indene?
The canonical SMILES for 2-tert-butyl-5-propan-2-yl-2,3-dihydro-1H-indene is CC(C)c1ccc2c(c1)CC(C(C)(C)C)C2.
What is the InChIKey of 2-tert-butyl-5-propan-2-yl-2,3-dihydro-1H-indene?
The InChIKey is XTSNKSRXPCHPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-11(2)12-6-7-13-9-15(16(3,4)5)10-14(13)8-12/h6-8,11,15H,9-10H2,1-5H3.
What are the key properties of 2-tert-butyl-5-propan-2-yl-2,3-dihydro-1H-indene?
2-tert-butyl-5-propan-2-yl-2,3-dihydro-1H-indene has a molecular weight of 216.37 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-propan-2-yl-2,3-dihydro-1H-indene is sourced from PubChem (CID 140575899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).