2,6-ditert-butyl-7-methyl-1H-indene

C18H26 — CID 160772507

IUPAC2,6-ditert-butyl-7-methyl-1H-indene
SMILESCc1c(C(C)(C)C)ccc2c1CC(C(C)(C)C)=C2
InChIInChI=1S/C18H26/c1-12-15-11-14(17(2,3)4)10-13(15)8-9-16(12)18(5,6)7/h8-10H,11H2,1-7H3
InChIKeyPTEYMUXDNYQIGZ-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.28
Rot. Bonds

About 2,6-ditert-butyl-7-methyl-1H-indene

2,6-ditert-butyl-7-methyl-1H-indene (PubChem CID 160772507) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 2,6-ditert-butyl-7-methyl-1H-indene.

Molecular Properties

Compound Name2,6-ditert-butyl-7-methyl-1H-indene
PubChem CID160772507
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name2,6-ditert-butyl-7-methyl-1H-indene
SMILESCc1c(C(C)(C)C)ccc2c1CC(C(C)(C)C)=C2
InChIInChI=1S/C18H26/c1-12-15-11-14(17(2,3)4)10-13(15)8-9-16(12)18(5,6)7/h8-10H,11H2,1-7H3
InChIKeyPTEYMUXDNYQIGZ-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,7-ditert-butyl-1H-indene;dichlorozirconium
CID 175509245
2,6-ditert-butyl-1,5-dihydro-s-indacene;ethane
CID 158899228
2-tert-butyl-1H-indene;zirconium
CID 159357994
1-tert-butyl-2,3,4-trimethylbenzene
CID 19367867
1,2,4-tritert-butyl-3-methylbenzene
CID 140854295
2-tert-butyl-1,6-dihydropyrene
CID 164779934
bis(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-methylphosphane
CID 15847611
2,4-ditert-butyl-1-methylcyclopenta-1,3-diene
CID 150460331
4,7-ditert-butyl-1,3-dihydroinden-2-one
CID 71145963
4-tert-butyl-3-methylbenzene-1,2-diol
CID 21136547
2,6-ditert-butyl-5H-cyclopenta[c]pyridin-2-ium
CID 158636929
4-tert-butyl-2-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-3-methylphenol
CID 154698839

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-7-methyl-1H-indene?
The IUPAC name of 2,6-ditert-butyl-7-methyl-1H-indene (CID 160772507) is 2,6-ditert-butyl-7-methyl-1H-indene.
What is the SMILES notation for 2,6-ditert-butyl-7-methyl-1H-indene?
The canonical SMILES for 2,6-ditert-butyl-7-methyl-1H-indene is Cc1c(C(C)(C)C)ccc2c1CC(C(C)(C)C)=C2.
What is the InChIKey of 2,6-ditert-butyl-7-methyl-1H-indene?
The InChIKey is PTEYMUXDNYQIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-12-15-11-14(17(2,3)4)10-13(15)8-9-16(12)18(5,6)7/h8-10H,11H2,1-7H3.
What are the key properties of 2,6-ditert-butyl-7-methyl-1H-indene?
2,6-ditert-butyl-7-methyl-1H-indene has a molecular weight of 242.41 g/mol, XLogP of 5.28, 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-7-methyl-1H-indene is sourced from PubChem (CID 160772507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).