4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene;ethane

C17H28 — CID 142235417

IUPAC4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene;ethane
SMILESCC.CCc1ccc(C(C)(C)C)c2c1CCC2
InChIInChI=1S/C15H22.C2H6/c1-5-11-9-10-14(15(2,3)4)13-8-6-7-12(11)13;1-2/h9-10H,5-8H2,1-4H3;1-2H3
InChIKeyPSNOINDAXQTILC-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.06
Rot. Bonds1

About 4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene;ethane

4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene;ethane (PubChem CID 142235417) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene;ethane.

Molecular Properties

Compound Name4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene;ethane
PubChem CID142235417
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene;ethane
SMILESCC.CCc1ccc(C(C)(C)C)c2c1CCC2
InChIInChI=1S/C15H22.C2H6/c1-5-11-9-10-14(15(2,3)4)13-8-6-7-12(11)13;1-2/h9-10H,5-8H2,1-4H3;1-2H3
InChIKeyPSNOINDAXQTILC-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene
CID 142235418
butane;ethane;5-ethyl-8-methyl-1,2,3,4-tetrahydronaphthalene
CID 142179547
methyl 7-ethyl-2,3-dihydro-1H-indene-4-carboxylate
CID 166806898
4,7-ditert-butyl-1,3-dihydroinden-2-one
CID 71145963
1-tert-butyl-5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene
CID 162694173
5-ethyl-3,4-dihydro-2H-naphthalen-1-one
CID 589817
1,4-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 139941681
2-tert-butyl-5-isocyanobicyclo[4.2.0]octa-1,3,5-triene
CID 176760560
2-(7-methyl-2,3-dihydro-1H-inden-4-yl)acetic acid
CID 117281877
5-tert-butyl-4-ethyl-2-methylphenol
CID 142192089
1-tert-butyl-2-ethylbenzene;hydrogen peroxide
CID 88799251
(5S)-1,4-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79014213

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene;ethane?
The IUPAC name of 4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene;ethane (CID 142235417) is 4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene;ethane.
What is the SMILES notation for 4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene;ethane?
The canonical SMILES for 4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene;ethane is CC.CCc1ccc(C(C)(C)C)c2c1CCC2.
What is the InChIKey of 4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene;ethane?
The InChIKey is PSNOINDAXQTILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22.C2H6/c1-5-11-9-10-14(15(2,3)4)13-8-6-7-12(11)13;1-2/h9-10H,5-8H2,1-4H3;1-2H3.
What are the key properties of 4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene;ethane?
4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene;ethane has a molecular weight of 232.41 g/mol, XLogP of 5.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene;ethane is sourced from PubChem (CID 142235417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).