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

C14H18 — CID 160824528

IUPAC6-tert-butyl-5-methyl-1H-indene
SMILESCc1cc2c(cc1C(C)(C)C)CC=C2
InChIInChI=1S/C14H18/c1-10-8-11-6-5-7-12(11)9-13(10)14(2,3)4/h5-6,8-9H,7H2,1-4H3
InChIKeyICJZVOGRGOYWQH-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.86
Rot. Bonds

About 6-tert-butyl-5-methyl-1H-indene

6-tert-butyl-5-methyl-1H-indene (PubChem CID 160824528) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 6-tert-butyl-5-methyl-1H-indene.

Molecular Properties

Compound Name6-tert-butyl-5-methyl-1H-indene
PubChem CID160824528
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name6-tert-butyl-5-methyl-1H-indene
SMILESCc1cc2c(cc1C(C)(C)C)CC=C2
InChIInChI=1S/C14H18/c1-10-8-11-6-5-7-12(11)9-13(10)14(2,3)4/h5-6,8-9H,7H2,1-4H3
InChIKeyICJZVOGRGOYWQH-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-tert-butyl-6-chloro-1H-indene
CID 58201794
6-methyl-3H-inden-5-ol
CID 159911719
2-tert-butyl-6-[6-[3-tert-butyl-2-(dimethylamino)phenyl]-3H-inden-5-yl]-N,N-dimethylaniline
CID 68620380
5-tert-butyl-6-methyl-2,3-dihydro-1H-indene
CID 140602507
azane;2,3-dimethyl-9H-benzo[7]annulene
CID 142943384
heptacyclo[15.11.0.03,15.05,13.07,11.019,27.021,25]octacosa-1(28),2,4,6,8,11,13,15,17,19,21(25),23,26-tridecaene
CID 159780019
5-methyl-1H-indene;propane
CID 91103814
2,2-dimethylpropane;1H-indene
CID 91444603
1-(1H-inden-5-yl)-2,2-dimethylpropan-1-amine
CID 70658456
6-tert-butyl-1H-indene;6-tert-butylquinoxaline
CID 161072666
1-tert-butyl-4-fluoro-2,5-dimethylbenzene
CID 58173964
2,4-ditert-butyl-5-methylphenol
CID 10346

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-methyl-1H-indene?
The IUPAC name of 6-tert-butyl-5-methyl-1H-indene (CID 160824528) is 6-tert-butyl-5-methyl-1H-indene.
What is the SMILES notation for 6-tert-butyl-5-methyl-1H-indene?
The canonical SMILES for 6-tert-butyl-5-methyl-1H-indene is Cc1cc2c(cc1C(C)(C)C)CC=C2.
What is the InChIKey of 6-tert-butyl-5-methyl-1H-indene?
The InChIKey is ICJZVOGRGOYWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-10-8-11-6-5-7-12(11)9-13(10)14(2,3)4/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 6-tert-butyl-5-methyl-1H-indene?
6-tert-butyl-5-methyl-1H-indene has a molecular weight of 186.30 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-methyl-1H-indene is sourced from PubChem (CID 160824528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).