(1S)-1-ethyl-3,3-dimethyl-1,2-dihydroindene

C13H18 — CID 149388783

IUPAC(1S)-1-ethyl-3,3-dimethyl-1,2-dihydroindene
SMILESCC[C@H]1CC(C)(C)c2ccccc21
InChIInChI=1S/C13H18/c1-4-10-9-13(2,3)12-8-6-5-7-11(10)12/h5-8,10H,4,9H2,1-3H3/t10-/m0/s1
InChIKeyYNCQNHTXCMGWKS-JTQLQIEISA-N
MW174.29 g/mol
LogP3.86
Rot. Bonds1

About (1S)-1-ethyl-3,3-dimethyl-1,2-dihydroindene

(1S)-1-ethyl-3,3-dimethyl-1,2-dihydroindene (PubChem CID 149388783) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is (1S)-1-ethyl-3,3-dimethyl-1,2-dihydroindene.

Molecular Properties

Compound Name(1S)-1-ethyl-3,3-dimethyl-1,2-dihydroindene
PubChem CID149388783
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name(1S)-1-ethyl-3,3-dimethyl-1,2-dihydroindene
SMILESCC[C@H]1CC(C)(C)c2ccccc21
InChIInChI=1S/C13H18/c1-4-10-9-13(2,3)12-8-6-5-7-11(10)12/h5-8,10H,4,9H2,1-3H3/t10-/m0/s1
InChIKeyYNCQNHTXCMGWKS-JTQLQIEISA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-ethyl-3,3-dimethyl-1,2-dihydroindene?
The IUPAC name of (1S)-1-ethyl-3,3-dimethyl-1,2-dihydroindene (CID 149388783) is (1S)-1-ethyl-3,3-dimethyl-1,2-dihydroindene.
What is the SMILES notation for (1S)-1-ethyl-3,3-dimethyl-1,2-dihydroindene?
The canonical SMILES for (1S)-1-ethyl-3,3-dimethyl-1,2-dihydroindene is CC[C@H]1CC(C)(C)c2ccccc21.
What is the InChIKey of (1S)-1-ethyl-3,3-dimethyl-1,2-dihydroindene?
The InChIKey is YNCQNHTXCMGWKS-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18/c1-4-10-9-13(2,3)12-8-6-5-7-11(10)12/h5-8,10H,4,9H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-1-ethyl-3,3-dimethyl-1,2-dihydroindene?
(1S)-1-ethyl-3,3-dimethyl-1,2-dihydroindene has a molecular weight of 174.29 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-ethyl-3,3-dimethyl-1,2-dihydroindene is sourced from PubChem (CID 149388783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).