6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1H-indene

C14H22 — CID 86094624

IUPAC6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1H-indene
SMILESCC1=CC2=C(C1)CC(C(C)(C)C)CC2
InChIInChI=1S/C14H22/c1-10-7-11-5-6-13(14(2,3)4)9-12(11)8-10/h7,13H,5-6,8-9H2,1-4H3
InChIKeyXDXXVJJNRYBKJU-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.48
Rot. Bonds

About 6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1H-indene

6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1H-indene (PubChem CID 86094624) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1H-indene.

Molecular Properties

Compound Name6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1H-indene
PubChem CID86094624
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1H-indene
SMILESCC1=CC2=C(C1)CC(C(C)(C)C)CC2
InChIInChI=1S/C14H22/c1-10-7-11-5-6-13(14(2,3)4)9-12(11)8-10/h7,13H,5-6,8-9H2,1-4H3
InChIKeyXDXXVJJNRYBKJU-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1H-indene?
The IUPAC name of 6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1H-indene (CID 86094624) is 6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1H-indene.
What is the SMILES notation for 6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1H-indene?
The canonical SMILES for 6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1H-indene is CC1=CC2=C(C1)CC(C(C)(C)C)CC2.
What is the InChIKey of 6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1H-indene?
The InChIKey is XDXXVJJNRYBKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-10-7-11-5-6-13(14(2,3)4)9-12(11)8-10/h7,13H,5-6,8-9H2,1-4H3.
What are the key properties of 6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1H-indene?
6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1H-indene has a molecular weight of 190.33 g/mol, XLogP of 4.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1H-indene is sourced from PubChem (CID 86094624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).