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

C11H16 — CID 14490219

IUPAC5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene
SMILESCC1CC2=C(CC=C2)CC1C
InChIInChI=1S/C11H16/c1-8-6-10-4-3-5-11(10)7-9(8)2/h3-4,8-9H,5-7H2,1-2H3
InChIKeyBRNJLAHNESIEQO-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.31
Rot. Bonds

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

5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene (PubChem CID 14490219) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene.

Molecular Properties

Compound Name5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene
PubChem CID14490219
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene
SMILESCC1CC2=C(CC=C2)CC1C
InChIInChI=1S/C11H16/c1-8-6-10-4-3-5-11(10)7-9(8)2/h3-4,8-9H,5-7H2,1-2H3
InChIKeyBRNJLAHNESIEQO-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene?
The IUPAC name of 5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene (CID 14490219) is 5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene.
What is the SMILES notation for 5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene?
The canonical SMILES for 5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene is CC1CC2=C(CC=C2)CC1C.
What is the InChIKey of 5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene?
The InChIKey is BRNJLAHNESIEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-8-6-10-4-3-5-11(10)7-9(8)2/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of 5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene?
5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene has a molecular weight of 148.25 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene is sourced from PubChem (CID 14490219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).