2,2,5-tritert-butyl-1,3-dihydroindene

C21H34 — CID 165164993

IUPAC2,2,5-tritert-butyl-1,3-dihydroindene
SMILESCC(C)(C)c1ccc2c(c1)CC(C(C)(C)C)(C(C)(C)C)C2
InChIInChI=1S/C21H34/c1-18(2,3)17-11-10-15-13-21(19(4,5)6,20(7,8)9)14-16(15)12-17/h10-12H,13-14H2,1-9H3
InChIKeyVZXAFAAOGDAIAF-UHFFFAOYSA-N
MW286.50 g/mol
LogP6.16
Rot. Bonds

About 2,2,5-tritert-butyl-1,3-dihydroindene

2,2,5-tritert-butyl-1,3-dihydroindene (PubChem CID 165164993) has the molecular formula C21H34 and a molecular weight of 286.50 g/mol. Its IUPAC name is 2,2,5-tritert-butyl-1,3-dihydroindene.

Molecular Properties

Compound Name2,2,5-tritert-butyl-1,3-dihydroindene
PubChem CID165164993
Molecular FormulaC21H34
Molecular Weight286.50 g/mol
Exact Mass286.27
IUPAC Name2,2,5-tritert-butyl-1,3-dihydroindene
SMILESCC(C)(C)c1ccc2c(c1)CC(C(C)(C)C)(C(C)(C)C)C2
InChIInChI=1S/C21H34/c1-18(2,3)17-11-10-15-13-21(19(4,5)6,20(7,8)9)14-16(15)12-17/h10-12H,13-14H2,1-9H3
InChIKeyVZXAFAAOGDAIAF-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 15438926
5-tert-butyl-5'-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one
CID 170132557
5-tert-butyl-2,3-dihydro-1H-indene
CID 15271758
2,6-ditert-butyl-1,4-dihydronaphthalene
CID 10263787
3-tert-butyl-7-methylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 157184416
5-tert-butyl-2,2-difluoro-3H-inden-1-one
CID 67190251
6-tert-butyl-2,3-dimethylidene-1H-indene
CID 58981235
3,6-ditert-butyl-3,4-dihydro-1H-naphthalen-2-one
CID 13466563
3,6-ditert-butyl-1,2,3,4-tetrahydroquinoline
CID 63386279
2,7-ditert-butyl-1,9-dihydrofluoren-2-ol;titanium
CID 174395935
6-tert-butyl-2,3-dihydro-1H-indol-2-ol
CID 146620775
2,6-ditert-butyl-9H-fluorene;dichlorotitanium
CID 174369876

Frequently Asked Questions

What is the IUPAC name of 2,2,5-tritert-butyl-1,3-dihydroindene?
The IUPAC name of 2,2,5-tritert-butyl-1,3-dihydroindene (CID 165164993) is 2,2,5-tritert-butyl-1,3-dihydroindene.
What is the SMILES notation for 2,2,5-tritert-butyl-1,3-dihydroindene?
The canonical SMILES for 2,2,5-tritert-butyl-1,3-dihydroindene is CC(C)(C)c1ccc2c(c1)CC(C(C)(C)C)(C(C)(C)C)C2.
What is the InChIKey of 2,2,5-tritert-butyl-1,3-dihydroindene?
The InChIKey is VZXAFAAOGDAIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34/c1-18(2,3)17-11-10-15-13-21(19(4,5)6,20(7,8)9)14-16(15)12-17/h10-12H,13-14H2,1-9H3.
What are the key properties of 2,2,5-tritert-butyl-1,3-dihydroindene?
2,2,5-tritert-butyl-1,3-dihydroindene has a molecular weight of 286.50 g/mol, XLogP of 6.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-tritert-butyl-1,3-dihydroindene is sourced from PubChem (CID 165164993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).