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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Related Compounds

CID 119674
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CID 70506
CID 70506
CID 92838
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CID 10977615
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CID 9903278
CID 9903278
CID 10199062
CID 10199062
CID 38020
CID 38020
CID 141166
CID 141166
CID 155999
CID 155999
CID 233153
CID 233153
CID 1512567
CID 1512567
CID 1512568
CID 1512568

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).