2,5-dimethyl-1H-indene;2,6-dimethyl-1H-indene

C22H24 — CID 90832270

IUPAC2,5-dimethyl-1H-indene;2,6-dimethyl-1H-indene
SMILESCC1=Cc2cc(C)ccc2C1.CC1=Cc2ccc(C)cc2C1
InChIInChI=1S/2C11H12/c2*1-8-3-4-10-6-9(2)7-11(10)5-8/h3-5,7H,6H2,1-2H3;3-6H,7H2,1-2H3
InChIKeyTYUGKQHTSMAMQP-UHFFFAOYSA-N
MW288.43 g/mol
LogP5.91
Rot. Bonds

About 2,5-dimethyl-1H-indene;2,6-dimethyl-1H-indene

2,5-dimethyl-1H-indene;2,6-dimethyl-1H-indene (PubChem CID 90832270) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2,5-dimethyl-1H-indene;2,6-dimethyl-1H-indene.

Molecular Properties

Compound Name2,5-dimethyl-1H-indene;2,6-dimethyl-1H-indene
PubChem CID90832270
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name2,5-dimethyl-1H-indene;2,6-dimethyl-1H-indene
SMILESCC1=Cc2cc(C)ccc2C1.CC1=Cc2ccc(C)cc2C1
InChIInChI=1S/2C11H12/c2*1-8-3-4-10-6-9(2)7-11(10)5-8/h3-5,7H,6H2,1-2H3;3-6H,7H2,1-2H3
InChIKeyTYUGKQHTSMAMQP-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1H-indene;2,6-dimethyl-1H-indene?
The IUPAC name of 2,5-dimethyl-1H-indene;2,6-dimethyl-1H-indene (CID 90832270) is 2,5-dimethyl-1H-indene;2,6-dimethyl-1H-indene.
What is the SMILES notation for 2,5-dimethyl-1H-indene;2,6-dimethyl-1H-indene?
The canonical SMILES for 2,5-dimethyl-1H-indene;2,6-dimethyl-1H-indene is CC1=Cc2cc(C)ccc2C1.CC1=Cc2ccc(C)cc2C1.
What is the InChIKey of 2,5-dimethyl-1H-indene;2,6-dimethyl-1H-indene?
The InChIKey is TYUGKQHTSMAMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H12/c2*1-8-3-4-10-6-9(2)7-11(10)5-8/h3-5,7H,6H2,1-2H3;3-6H,7H2,1-2H3.
What are the key properties of 2,5-dimethyl-1H-indene;2,6-dimethyl-1H-indene?
2,5-dimethyl-1H-indene;2,6-dimethyl-1H-indene has a molecular weight of 288.43 g/mol, XLogP of 5.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1H-indene;2,6-dimethyl-1H-indene is sourced from PubChem (CID 90832270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).