(3E)-3-(2-ethoxyethylidene)-7-methyl-1,2-dihydroindene

C14H18O — CID 134358125

IUPAC(3E)-3-(2-ethoxyethylidene)-7-methyl-1,2-dihydroindene
SMILESCCOC/C=C1\CCc2c(C)cccc21
InChIInChI=1S/C14H18O/c1-3-15-10-9-12-7-8-13-11(2)5-4-6-14(12)13/h4-6,9H,3,7-8,10H2,1-2H3/b12-9+
InChIKeyOLBCDAHTNWKDSY-FMIVXFBMSA-N
MW202.30 g/mol
LogP3.36
Rot. Bonds3

About (3E)-3-(2-ethoxyethylidene)-7-methyl-1,2-dihydroindene

(3E)-3-(2-ethoxyethylidene)-7-methyl-1,2-dihydroindene (PubChem CID 134358125) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (3E)-3-(2-ethoxyethylidene)-7-methyl-1,2-dihydroindene.

Molecular Properties

Compound Name(3E)-3-(2-ethoxyethylidene)-7-methyl-1,2-dihydroindene
PubChem CID134358125
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(3E)-3-(2-ethoxyethylidene)-7-methyl-1,2-dihydroindene
SMILESCCOC/C=C1\CCc2c(C)cccc21
InChIInChI=1S/C14H18O/c1-3-15-10-9-12-7-8-13-11(2)5-4-6-14(12)13/h4-6,9H,3,7-8,10H2,1-2H3/b12-9+
InChIKeyOLBCDAHTNWKDSY-FMIVXFBMSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(2-ethoxyethylidene)-7-methyl-1,2-dihydroindene?
The IUPAC name of (3E)-3-(2-ethoxyethylidene)-7-methyl-1,2-dihydroindene (CID 134358125) is (3E)-3-(2-ethoxyethylidene)-7-methyl-1,2-dihydroindene.
What is the SMILES notation for (3E)-3-(2-ethoxyethylidene)-7-methyl-1,2-dihydroindene?
The canonical SMILES for (3E)-3-(2-ethoxyethylidene)-7-methyl-1,2-dihydroindene is CCOC/C=C1\CCc2c(C)cccc21.
What is the InChIKey of (3E)-3-(2-ethoxyethylidene)-7-methyl-1,2-dihydroindene?
The InChIKey is OLBCDAHTNWKDSY-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H18O/c1-3-15-10-9-12-7-8-13-11(2)5-4-6-14(12)13/h4-6,9H,3,7-8,10H2,1-2H3/b12-9+.
What are the key properties of (3E)-3-(2-ethoxyethylidene)-7-methyl-1,2-dihydroindene?
(3E)-3-(2-ethoxyethylidene)-7-methyl-1,2-dihydroindene has a molecular weight of 202.30 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(2-ethoxyethylidene)-7-methyl-1,2-dihydroindene is sourced from PubChem (CID 134358125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).