1-ethoxy-3,3-dimethyl-1,2-dihydroindene

C13H18O — CID 135037785

IUPAC1-ethoxy-3,3-dimethyl-1,2-dihydroindene
SMILESCCOC1CC(C)(C)c2ccccc21
InChIInChI=1S/C13H18O/c1-4-14-12-9-13(2,3)11-8-6-5-7-10(11)12/h5-8,12H,4,9H2,1-3H3
InChIKeyFCJGSZMJCDEVER-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.45
Rot. Bonds2

About 1-ethoxy-3,3-dimethyl-1,2-dihydroindene

1-ethoxy-3,3-dimethyl-1,2-dihydroindene (PubChem CID 135037785) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-ethoxy-3,3-dimethyl-1,2-dihydroindene.

Molecular Properties

Compound Name1-ethoxy-3,3-dimethyl-1,2-dihydroindene
PubChem CID135037785
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-ethoxy-3,3-dimethyl-1,2-dihydroindene
SMILESCCOC1CC(C)(C)c2ccccc21
InChIInChI=1S/C13H18O/c1-4-14-12-9-13(2,3)11-8-6-5-7-10(11)12/h5-8,12H,4,9H2,1-3H3
InChIKeyFCJGSZMJCDEVER-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3,3-dimethyl-1,2-dihydroindene?
The IUPAC name of 1-ethoxy-3,3-dimethyl-1,2-dihydroindene (CID 135037785) is 1-ethoxy-3,3-dimethyl-1,2-dihydroindene.
What is the SMILES notation for 1-ethoxy-3,3-dimethyl-1,2-dihydroindene?
The canonical SMILES for 1-ethoxy-3,3-dimethyl-1,2-dihydroindene is CCOC1CC(C)(C)c2ccccc21.
What is the InChIKey of 1-ethoxy-3,3-dimethyl-1,2-dihydroindene?
The InChIKey is FCJGSZMJCDEVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-4-14-12-9-13(2,3)11-8-6-5-7-10(11)12/h5-8,12H,4,9H2,1-3H3.
What are the key properties of 1-ethoxy-3,3-dimethyl-1,2-dihydroindene?
1-ethoxy-3,3-dimethyl-1,2-dihydroindene has a molecular weight of 190.29 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3,3-dimethyl-1,2-dihydroindene is sourced from PubChem (CID 135037785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).