triethyl 6-methyl-1,3-dihydroindene-2,2,5-tricarboxylate

C19H24O6 — CID 59398642

IUPACtriethyl 6-methyl-1,3-dihydroindene-2,2,5-tricarboxylate
SMILESCCOC(=O)c1cc2c(cc1C)CC(C(=O)OCC)(C(=O)OCC)C2
InChIInChI=1S/C19H24O6/c1-5-23-16(20)15-9-14-11-19(17(21)24-6-2,18(22)25-7-3)10-13(14)8-12(15)4/h8-9H,5-7,10-11H2,1-4H3
InChIKeyBMPYGUYXUHCCBT-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.38
Rot. Bonds6

About triethyl 6-methyl-1,3-dihydroindene-2,2,5-tricarboxylate

triethyl 6-methyl-1,3-dihydroindene-2,2,5-tricarboxylate (PubChem CID 59398642) has the molecular formula C19H24O6 and a molecular weight of 348.40 g/mol. Its IUPAC name is triethyl 6-methyl-1,3-dihydroindene-2,2,5-tricarboxylate.

Molecular Properties

Compound Nametriethyl 6-methyl-1,3-dihydroindene-2,2,5-tricarboxylate
PubChem CID59398642
Molecular FormulaC19H24O6
Molecular Weight348.40 g/mol
Exact Mass348.16
IUPAC Nametriethyl 6-methyl-1,3-dihydroindene-2,2,5-tricarboxylate
SMILESCCOC(=O)c1cc2c(cc1C)CC(C(=O)OCC)(C(=O)OCC)C2
InChIInChI=1S/C19H24O6/c1-5-23-16(20)15-9-14-11-19(17(21)24-6-2,18(22)25-7-3)10-13(14)8-12(15)4/h8-9H,5-7,10-11H2,1-4H3
InChIKeyBMPYGUYXUHCCBT-UHFFFAOYSA-N
XLogP2.38
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

triethyl 1,3-dihydroindene-2,2,5-tricarboxylate
CID 10359519
diethyl 3,5-dihydro-1H-cyclopropa[f]indene-4,4-dicarboxylate
CID 15641549
diethyl 4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate
CID 15814402
diethyl 4-methyl-1,3,6,8-tetrahydrocyclopenta[e][2]benzofuran-7,7-dicarboxylate
CID 11088426
hexaethyl tetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene-3,3,11,11,19,19-hexacarboxylate
CID 15782308
ethyl 4,5-diamino-2-methylbenzoate
CID 171024820
[6-ethoxycarbonyl-3,3-bis(methoxycarbonyl)-7-methyl-2,4-dihydro-1H-naphthalen-1-yl]-oxo-phenylphosphanium
CID 132546992
ethyl 4-ethoxy-2,5-dimethylbenzoate
CID 82552309
diethyl 4,7-dioxo-1,3-dihydroindene-2,2-dicarboxylate
CID 121351241
diethyl (11E)-tricyclo[12.3.1.15,9]nonadeca-1(17),5,7,9(19),11,14(18),15-heptaene-3,3-dicarboxylate
CID 56957352
ethyl 2-amino-5,6-dimethoxy-1,3-dihydroindene-2-carboxylate
CID 24977741
ethyl 2,4-dimethyl-5-methylsulfanylbenzoate
CID 164892847

Frequently Asked Questions

What is the IUPAC name of triethyl 6-methyl-1,3-dihydroindene-2,2,5-tricarboxylate?
The IUPAC name of triethyl 6-methyl-1,3-dihydroindene-2,2,5-tricarboxylate (CID 59398642) is triethyl 6-methyl-1,3-dihydroindene-2,2,5-tricarboxylate.
What is the SMILES notation for triethyl 6-methyl-1,3-dihydroindene-2,2,5-tricarboxylate?
The canonical SMILES for triethyl 6-methyl-1,3-dihydroindene-2,2,5-tricarboxylate is CCOC(=O)c1cc2c(cc1C)CC(C(=O)OCC)(C(=O)OCC)C2.
What is the InChIKey of triethyl 6-methyl-1,3-dihydroindene-2,2,5-tricarboxylate?
The InChIKey is BMPYGUYXUHCCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O6/c1-5-23-16(20)15-9-14-11-19(17(21)24-6-2,18(22)25-7-3)10-13(14)8-12(15)4/h8-9H,5-7,10-11H2,1-4H3.
What are the key properties of triethyl 6-methyl-1,3-dihydroindene-2,2,5-tricarboxylate?
triethyl 6-methyl-1,3-dihydroindene-2,2,5-tricarboxylate has a molecular weight of 348.40 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl 6-methyl-1,3-dihydroindene-2,2,5-tricarboxylate is sourced from PubChem (CID 59398642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).