4-ethyl-1,1-dimethylindene

C13H16 — CID 174783875

IUPAC4-ethyl-1,1-dimethylindene
SMILESCCc1cccc2c1C=CC2(C)C
InChIInChI=1S/C13H16/c1-4-10-6-5-7-12-11(10)8-9-13(12,2)3/h5-9H,4H2,1-3H3
InChIKeyLHYMIOKNRDLBKA-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.55
Rot. Bonds1

About 4-ethyl-1,1-dimethylindene

4-ethyl-1,1-dimethylindene (PubChem CID 174783875) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-ethyl-1,1-dimethylindene.

Molecular Properties

Compound Name4-ethyl-1,1-dimethylindene
PubChem CID174783875
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name4-ethyl-1,1-dimethylindene
SMILESCCc1cccc2c1C=CC2(C)C
InChIInChI=1S/C13H16/c1-4-10-6-5-7-12-11(10)8-9-13(12,2)3/h5-9H,4H2,1-3H3
InChIKeyLHYMIOKNRDLBKA-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,1-dimethylindene?
The IUPAC name of 4-ethyl-1,1-dimethylindene (CID 174783875) is 4-ethyl-1,1-dimethylindene.
What is the SMILES notation for 4-ethyl-1,1-dimethylindene?
The canonical SMILES for 4-ethyl-1,1-dimethylindene is CCc1cccc2c1C=CC2(C)C.
What is the InChIKey of 4-ethyl-1,1-dimethylindene?
The InChIKey is LHYMIOKNRDLBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-4-10-6-5-7-12-11(10)8-9-13(12,2)3/h5-9H,4H2,1-3H3.
What are the key properties of 4-ethyl-1,1-dimethylindene?
4-ethyl-1,1-dimethylindene has a molecular weight of 172.27 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,1-dimethylindene is sourced from PubChem (CID 174783875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).