ethoxyethane;1H-indene

C13H18O — CID 86747629

IUPACethoxyethane;1H-indene
SMILESC1=Cc2ccccc2C1.CCOCC
InChIInChI=1S/C9H8.C4H10O/c1-2-5-9-7-3-6-8(9)4-1;1-3-5-4-2/h1-6H,7H2;3-4H2,1-2H3
InChIKeySXHAWXOVYLXIEE-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.30
Rot. Bonds2

About ethoxyethane;1H-indene

ethoxyethane;1H-indene (PubChem CID 86747629) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is ethoxyethane;1H-indene.

Molecular Properties

Compound Nameethoxyethane;1H-indene
PubChem CID86747629
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Nameethoxyethane;1H-indene
SMILESC1=Cc2ccccc2C1.CCOCC
InChIInChI=1S/C9H8.C4H10O/c1-2-5-9-7-3-6-8(9)4-1;1-3-5-4-2/h1-6H,7H2;3-4H2,1-2H3
InChIKeySXHAWXOVYLXIEE-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethoxyethane;1H-indene?
The IUPAC name of ethoxyethane;1H-indene (CID 86747629) is ethoxyethane;1H-indene.
What is the SMILES notation for ethoxyethane;1H-indene?
The canonical SMILES for ethoxyethane;1H-indene is C1=Cc2ccccc2C1.CCOCC.
What is the InChIKey of ethoxyethane;1H-indene?
The InChIKey is SXHAWXOVYLXIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8.C4H10O/c1-2-5-9-7-3-6-8(9)4-1;1-3-5-4-2/h1-6H,7H2;3-4H2,1-2H3.
What are the key properties of ethoxyethane;1H-indene?
ethoxyethane;1H-indene has a molecular weight of 190.29 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;1H-indene is sourced from PubChem (CID 86747629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).