2,6-ditert-butyl-1,5-dihydro-s-indacene;ethane

C22H32 — CID 158899228

IUPAC2,6-ditert-butyl-1,5-dihydro-s-indacene;ethane
SMILESCC.CC(C)(C)C1=Cc2cc3c(cc2C1)C=C(C(C)(C)C)C3
InChIInChI=1S/C20H26.C2H6/c1-19(2,3)17-9-13-7-15-11-18(20(4,5)6)12-16(15)8-14(13)10-17;1-2/h7-9,12H,10-11H2,1-6H3;1-2H3
InChIKeyJFFJOHNRKYGSJN-UHFFFAOYSA-N
MW296.50 g/mol
LogP6.68
Rot. Bonds

About 2,6-ditert-butyl-1,5-dihydro-s-indacene;ethane

2,6-ditert-butyl-1,5-dihydro-s-indacene;ethane (PubChem CID 158899228) has the molecular formula C22H32 and a molecular weight of 296.50 g/mol. Its IUPAC name is 2,6-ditert-butyl-1,5-dihydro-s-indacene;ethane.

Molecular Properties

Compound Name2,6-ditert-butyl-1,5-dihydro-s-indacene;ethane
PubChem CID158899228
Molecular FormulaC22H32
Molecular Weight296.50 g/mol
Exact Mass296.25
IUPAC Name2,6-ditert-butyl-1,5-dihydro-s-indacene;ethane
SMILESCC.CC(C)(C)C1=Cc2cc3c(cc2C1)C=C(C(C)(C)C)C3
InChIInChI=1S/C20H26.C2H6/c1-19(2,3)17-9-13-7-15-11-18(20(4,5)6)12-16(15)8-14(13)10-17;1-2/h7-9,12H,10-11H2,1-6H3;1-2H3
InChIKeyJFFJOHNRKYGSJN-UHFFFAOYSA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-tert-butyl-1H-indene;zirconium
CID 159357994
6-tert-butyl-7H-cyclopenta[d]pyrimidine
CID 159135744
2,6-ditert-butyl-5H-cyclopenta[c]pyridin-2-ium
CID 158636929
2,5-ditert-butyl-4H-cyclopenta[b]thiophene
CID 90181150
2-tert-butyl-1,6-dihydropyrene
CID 164779934
2,6-ditert-butyl-7-methyl-1H-indene
CID 160772507
1,5-ditert-butyl-3-(chloromethylidene)cyclohexa-1,4-diene
CID 67941557
2,4-ditert-butyl-1-methylcyclopenta-1,3-diene
CID 150460331
3-[(2-tert-butyl-3H-inden-5-yl)methyl]-N-methyl-N-propan-2-ylcyclobutan-1-amine
CID 166996941
5-tert-butyl-2-methyl-1H-indene
CID 18314754
2,6-dimethyl-1,7-dihydro-s-indacene
CID 12975727
2,7-ditert-butyl-1H-indene;dichlorozirconium
CID 175509245

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-1,5-dihydro-s-indacene;ethane?
The IUPAC name of 2,6-ditert-butyl-1,5-dihydro-s-indacene;ethane (CID 158899228) is 2,6-ditert-butyl-1,5-dihydro-s-indacene;ethane.
What is the SMILES notation for 2,6-ditert-butyl-1,5-dihydro-s-indacene;ethane?
The canonical SMILES for 2,6-ditert-butyl-1,5-dihydro-s-indacene;ethane is CC.CC(C)(C)C1=Cc2cc3c(cc2C1)C=C(C(C)(C)C)C3.
What is the InChIKey of 2,6-ditert-butyl-1,5-dihydro-s-indacene;ethane?
The InChIKey is JFFJOHNRKYGSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26.C2H6/c1-19(2,3)17-9-13-7-15-11-18(20(4,5)6)12-16(15)8-14(13)10-17;1-2/h7-9,12H,10-11H2,1-6H3;1-2H3.
What are the key properties of 2,6-ditert-butyl-1,5-dihydro-s-indacene;ethane?
2,6-ditert-butyl-1,5-dihydro-s-indacene;ethane has a molecular weight of 296.50 g/mol, XLogP of 6.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-1,5-dihydro-s-indacene;ethane is sourced from PubChem (CID 158899228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).