methyl 2-(2-methoxyethoxy)-5,6-dihydro-4H-indene-1-carboxylate

C14H18O4 — CID 54356226

IUPACmethyl 2-(2-methoxyethoxy)-5,6-dihydro-4H-indene-1-carboxylate
SMILESCOCCOC1=C(C(=O)OC)C2=CCCCC2=C1
InChIInChI=1S/C14H18O4/c1-16-7-8-18-12-9-10-5-3-4-6-11(10)13(12)14(15)17-2/h6,9H,3-5,7-8H2,1-2H3
InChIKeyUJGVYUJETVGXJT-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.13
Rot. Bonds5

About methyl 2-(2-methoxyethoxy)-5,6-dihydro-4H-indene-1-carboxylate

methyl 2-(2-methoxyethoxy)-5,6-dihydro-4H-indene-1-carboxylate (PubChem CID 54356226) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is methyl 2-(2-methoxyethoxy)-5,6-dihydro-4H-indene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methoxyethoxy)-5,6-dihydro-4H-indene-1-carboxylate
PubChem CID54356226
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namemethyl 2-(2-methoxyethoxy)-5,6-dihydro-4H-indene-1-carboxylate
SMILESCOCCOC1=C(C(=O)OC)C2=CCCCC2=C1
InChIInChI=1S/C14H18O4/c1-16-7-8-18-12-9-10-5-3-4-6-11(10)13(12)14(15)17-2/h6,9H,3-5,7-8H2,1-2H3
InChIKeyUJGVYUJETVGXJT-UHFFFAOYSA-N
XLogP2.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl 2-(2-methoxyethoxy)-5,6-dihydro-4H-indene-1-carboxylate?
The IUPAC name of methyl 2-(2-methoxyethoxy)-5,6-dihydro-4H-indene-1-carboxylate (CID 54356226) is methyl 2-(2-methoxyethoxy)-5,6-dihydro-4H-indene-1-carboxylate.
What is the SMILES notation for methyl 2-(2-methoxyethoxy)-5,6-dihydro-4H-indene-1-carboxylate?
The canonical SMILES for methyl 2-(2-methoxyethoxy)-5,6-dihydro-4H-indene-1-carboxylate is COCCOC1=C(C(=O)OC)C2=CCCCC2=C1.
What is the InChIKey of methyl 2-(2-methoxyethoxy)-5,6-dihydro-4H-indene-1-carboxylate?
The InChIKey is UJGVYUJETVGXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-16-7-8-18-12-9-10-5-3-4-6-11(10)13(12)14(15)17-2/h6,9H,3-5,7-8H2,1-2H3.
What are the key properties of methyl 2-(2-methoxyethoxy)-5,6-dihydro-4H-indene-1-carboxylate?
methyl 2-(2-methoxyethoxy)-5,6-dihydro-4H-indene-1-carboxylate has a molecular weight of 250.29 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxyethoxy)-5,6-dihydro-4H-indene-1-carboxylate is sourced from PubChem (CID 54356226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).