5-tert-butyl-2,3-dihydro-1H-indene

C13H18 — CID 15271758

IUPAC5-tert-butyl-2,3-dihydro-1H-indene
SMILESCC(C)(C)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H18/c1-13(2,3)12-8-7-10-5-4-6-11(10)9-12/h7-9H,4-6H2,1-3H3
InChIKeyHIUJUJQGZWLWAN-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.47
Rot. Bonds

About 5-tert-butyl-2,3-dihydro-1H-indene

5-tert-butyl-2,3-dihydro-1H-indene (PubChem CID 15271758) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 5-tert-butyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-tert-butyl-2,3-dihydro-1H-indene
PubChem CID15271758
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name5-tert-butyl-2,3-dihydro-1H-indene
SMILESCC(C)(C)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H18/c1-13(2,3)12-8-7-10-5-4-6-11(10)9-12/h7-9H,4-6H2,1-3H3
InChIKeyHIUJUJQGZWLWAN-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-tert-butylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 15438926
2-tert-butyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 58124109
1-cyclohexyl-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 114194209
3-[3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-bis(tert-butylsulfanyl)methyl]bicyclo[4.2.0]octa-1(6),2,4-triene
CID 145163348
2-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,2-diamine
CID 3052971
5-tert-butyl-2,3-dihydro-1H-indene;4-(2,2-dimethylpropyl)-5-methyl-1,3-dioxol-2-one
CID 160686377
1-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 63411446
2-(2,3-dihydro-1H-inden-5-yl)heptan-2-ol
CID 114194197
2-(2,3-dihydro-1H-inden-5-yl)-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261409
N'-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]-N-methylethane-1,2-diamine
CID 115196158
3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 79830298
1-(4-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 63406681

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,3-dihydro-1H-indene?
The IUPAC name of 5-tert-butyl-2,3-dihydro-1H-indene (CID 15271758) is 5-tert-butyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-tert-butyl-2,3-dihydro-1H-indene?
The canonical SMILES for 5-tert-butyl-2,3-dihydro-1H-indene is CC(C)(C)c1ccc2c(c1)CCC2.
What is the InChIKey of 5-tert-butyl-2,3-dihydro-1H-indene?
The InChIKey is HIUJUJQGZWLWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-13(2,3)12-8-7-10-5-4-6-11(10)9-12/h7-9H,4-6H2,1-3H3.
What are the key properties of 5-tert-butyl-2,3-dihydro-1H-indene?
5-tert-butyl-2,3-dihydro-1H-indene has a molecular weight of 174.29 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 15271758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).