2,4-dimethyl-4,5,6,7-tetrahydro-1H-indene

C11H16 — CID 18705412

IUPAC2,4-dimethyl-4,5,6,7-tetrahydro-1H-indene
SMILESCC1=CC2=C(CCCC2C)C1
InChIInChI=1S/C11H16/c1-8-6-10-5-3-4-9(2)11(10)7-8/h7,9H,3-6H2,1-2H3
InChIKeyVQLJKPHEOJJAHN-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.45
Rot. Bonds

About 2,4-dimethyl-4,5,6,7-tetrahydro-1H-indene

2,4-dimethyl-4,5,6,7-tetrahydro-1H-indene (PubChem CID 18705412) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 2,4-dimethyl-4,5,6,7-tetrahydro-1H-indene.

Molecular Properties

Compound Name2,4-dimethyl-4,5,6,7-tetrahydro-1H-indene
PubChem CID18705412
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name2,4-dimethyl-4,5,6,7-tetrahydro-1H-indene
SMILESCC1=CC2=C(CCCC2C)C1
InChIInChI=1S/C11H16/c1-8-6-10-5-3-4-9(2)11(10)7-8/h7,9H,3-6H2,1-2H3
InChIKeyVQLJKPHEOJJAHN-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4,5,6,7-tetrahydro-1H-indene?
The IUPAC name of 2,4-dimethyl-4,5,6,7-tetrahydro-1H-indene (CID 18705412) is 2,4-dimethyl-4,5,6,7-tetrahydro-1H-indene.
What is the SMILES notation for 2,4-dimethyl-4,5,6,7-tetrahydro-1H-indene?
The canonical SMILES for 2,4-dimethyl-4,5,6,7-tetrahydro-1H-indene is CC1=CC2=C(CCCC2C)C1.
What is the InChIKey of 2,4-dimethyl-4,5,6,7-tetrahydro-1H-indene?
The InChIKey is VQLJKPHEOJJAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-8-6-10-5-3-4-9(2)11(10)7-8/h7,9H,3-6H2,1-2H3.
What are the key properties of 2,4-dimethyl-4,5,6,7-tetrahydro-1H-indene?
2,4-dimethyl-4,5,6,7-tetrahydro-1H-indene has a molecular weight of 148.25 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4,5,6,7-tetrahydro-1H-indene is sourced from PubChem (CID 18705412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).