ethyl 1-(2-methoxy-2-oxoethyl)-3-(oxan-2-yloxymethyl)-1H-indene-2-carboxylate

C21H26O6 — CID 11153026

IUPACethyl 1-(2-methoxy-2-oxoethyl)-3-(oxan-2-yloxymethyl)-1H-indene-2-carboxylate
SMILESCCOC(=O)C1=C(COC2CCCCO2)c2ccccc2C1CC(=O)OC
InChIInChI=1S/C21H26O6/c1-3-25-21(23)20-16(12-18(22)24-2)14-8-4-5-9-15(14)17(20)13-27-19-10-6-7-11-26-19/h4-5,8-9,16,19H,3,6-7,10-13H2,1-2H3
InChIKeyKLBUOXHJQKFZMT-UHFFFAOYSA-N
MW374.43 g/mol
LogP3.21
Rot. Bonds7

About ethyl 1-(2-methoxy-2-oxoethyl)-3-(oxan-2-yloxymethyl)-1H-indene-2-carboxylate

ethyl 1-(2-methoxy-2-oxoethyl)-3-(oxan-2-yloxymethyl)-1H-indene-2-carboxylate (PubChem CID 11153026) has the molecular formula C21H26O6 and a molecular weight of 374.43 g/mol. Its IUPAC name is ethyl 1-(2-methoxy-2-oxoethyl)-3-(oxan-2-yloxymethyl)-1H-indene-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methoxy-2-oxoethyl)-3-(oxan-2-yloxymethyl)-1H-indene-2-carboxylate
PubChem CID11153026
Molecular FormulaC21H26O6
Molecular Weight374.43 g/mol
Exact Mass374.17
IUPAC Nameethyl 1-(2-methoxy-2-oxoethyl)-3-(oxan-2-yloxymethyl)-1H-indene-2-carboxylate
SMILESCCOC(=O)C1=C(COC2CCCCO2)c2ccccc2C1CC(=O)OC
InChIInChI=1S/C21H26O6/c1-3-25-21(23)20-16(12-18(22)24-2)14-8-4-5-9-15(14)17(20)13-27-19-10-6-7-11-26-19/h4-5,8-9,16,19H,3,6-7,10-13H2,1-2H3
InChIKeyKLBUOXHJQKFZMT-UHFFFAOYSA-N
XLogP3.21
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-(2-methoxy-2-oxoethyl)-3-(oxan-2-yloxymethyl)-1H-indene-2-carboxylate with MolForge

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Related Compounds

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methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
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methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
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ethyl 4-(hydroxymethyl)-7-methoxy-2-(oxan-2-yloxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
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CID 10022408

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methoxy-2-oxoethyl)-3-(oxan-2-yloxymethyl)-1H-indene-2-carboxylate?
The IUPAC name of ethyl 1-(2-methoxy-2-oxoethyl)-3-(oxan-2-yloxymethyl)-1H-indene-2-carboxylate (CID 11153026) is ethyl 1-(2-methoxy-2-oxoethyl)-3-(oxan-2-yloxymethyl)-1H-indene-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-methoxy-2-oxoethyl)-3-(oxan-2-yloxymethyl)-1H-indene-2-carboxylate?
The canonical SMILES for ethyl 1-(2-methoxy-2-oxoethyl)-3-(oxan-2-yloxymethyl)-1H-indene-2-carboxylate is CCOC(=O)C1=C(COC2CCCCO2)c2ccccc2C1CC(=O)OC.
What is the InChIKey of ethyl 1-(2-methoxy-2-oxoethyl)-3-(oxan-2-yloxymethyl)-1H-indene-2-carboxylate?
The InChIKey is KLBUOXHJQKFZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O6/c1-3-25-21(23)20-16(12-18(22)24-2)14-8-4-5-9-15(14)17(20)13-27-19-10-6-7-11-26-19/h4-5,8-9,16,19H,3,6-7,10-13H2,1-2H3.
What are the key properties of ethyl 1-(2-methoxy-2-oxoethyl)-3-(oxan-2-yloxymethyl)-1H-indene-2-carboxylate?
ethyl 1-(2-methoxy-2-oxoethyl)-3-(oxan-2-yloxymethyl)-1H-indene-2-carboxylate has a molecular weight of 374.43 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methoxy-2-oxoethyl)-3-(oxan-2-yloxymethyl)-1H-indene-2-carboxylate is sourced from PubChem (CID 11153026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).