5-tert-butyl-2-methyl-1H-indene

C14H18 — CID 18314754

IUPAC5-tert-butyl-2-methyl-1H-indene
SMILESCC1=Cc2cc(C(C)(C)C)ccc2C1
InChIInChI=1S/C14H18/c1-10-7-11-5-6-13(14(2,3)4)9-12(11)8-10/h5-6,8-9H,7H2,1-4H3
InChIKeyZACPKKQKLFMOBQ-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.94
Rot. Bonds

About 5-tert-butyl-2-methyl-1H-indene

5-tert-butyl-2-methyl-1H-indene (PubChem CID 18314754) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-1H-indene.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-1H-indene
PubChem CID18314754
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name5-tert-butyl-2-methyl-1H-indene
SMILESCC1=Cc2cc(C(C)(C)C)ccc2C1
InChIInChI=1S/C14H18/c1-10-7-11-5-6-13(14(2,3)4)9-12(11)8-10/h5-6,8-9H,7H2,1-4H3
InChIKeyZACPKKQKLFMOBQ-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-1H-indene?
The IUPAC name of 5-tert-butyl-2-methyl-1H-indene (CID 18314754) is 5-tert-butyl-2-methyl-1H-indene.
What is the SMILES notation for 5-tert-butyl-2-methyl-1H-indene?
The canonical SMILES for 5-tert-butyl-2-methyl-1H-indene is CC1=Cc2cc(C(C)(C)C)ccc2C1.
What is the InChIKey of 5-tert-butyl-2-methyl-1H-indene?
The InChIKey is ZACPKKQKLFMOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-10-7-11-5-6-13(14(2,3)4)9-12(11)8-10/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 5-tert-butyl-2-methyl-1H-indene?
5-tert-butyl-2-methyl-1H-indene has a molecular weight of 186.30 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-1H-indene is sourced from PubChem (CID 18314754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).