3,5-ditert-butyl-1H-indene

C17H24 — CID 20675508

IUPAC3,5-ditert-butyl-1H-indene
SMILESCC(C)(C)C1=CCc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C17H24/c1-16(2,3)13-9-7-12-8-10-15(14(12)11-13)17(4,5)6/h7,9-11H,8H2,1-6H3
InChIKeyUEDCYNXSBCQYBS-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.97
Rot. Bonds

About 3,5-ditert-butyl-1H-indene

3,5-ditert-butyl-1H-indene (PubChem CID 20675508) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 3,5-ditert-butyl-1H-indene.

Molecular Properties

Compound Name3,5-ditert-butyl-1H-indene
PubChem CID20675508
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name3,5-ditert-butyl-1H-indene
SMILESCC(C)(C)C1=CCc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C17H24/c1-16(2,3)13-9-7-12-8-10-15(14(12)11-13)17(4,5)6/h7,9-11H,8H2,1-6H3
InChIKeyUEDCYNXSBCQYBS-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,6-ditert-butyl-1,4-dihydronaphthalene
CID 10263787
3-tert-butylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 15438926
2,6-ditert-butyl-9H-fluorene;dichlorotitanium
CID 174369876
1-bromo-3,6-ditert-butyl-9H-fluorene
CID 152720081
5-tert-butyl-2,3-dihydro-1H-indene
CID 15271758
7-tert-butyl-3,4-dihydronaphthalene-1-carboxylic acid
CID 82081831
2-(6-fluoro-3H-inden-1-yl)-2-methylpropan-1-amine
CID 105457773
6-tert-butyl-2-methyl-3H-isoindol-1-one
CID 58124079
2,7-ditert-butyl-9H-fluorene-4-carbaldehyde
CID 87824712
2,10-ditert-butyltetraphenylene
CID 159208403
2-methyl-N-[6-(trifluoromethyl)-3H-inden-1-yl]propane-2-sulfinamide
CID 123438705
6-tert-butyl-2,3-dimethylidene-1H-indene
CID 58981235

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-1H-indene?
The IUPAC name of 3,5-ditert-butyl-1H-indene (CID 20675508) is 3,5-ditert-butyl-1H-indene.
What is the SMILES notation for 3,5-ditert-butyl-1H-indene?
The canonical SMILES for 3,5-ditert-butyl-1H-indene is CC(C)(C)C1=CCc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 3,5-ditert-butyl-1H-indene?
The InChIKey is UEDCYNXSBCQYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-16(2,3)13-9-7-12-8-10-15(14(12)11-13)17(4,5)6/h7,9-11H,8H2,1-6H3.
What are the key properties of 3,5-ditert-butyl-1H-indene?
3,5-ditert-butyl-1H-indene has a molecular weight of 228.38 g/mol, XLogP of 4.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-1H-indene is sourced from PubChem (CID 20675508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).