dimethyl (3R)-2,2,6-trimethyl-3-phenylmethoxy-1,3-dihydroindene-4,5-dicarboxylate

C23H26O5 — CID 130455461

IUPACdimethyl (3R)-2,2,6-trimethyl-3-phenylmethoxy-1,3-dihydroindene-4,5-dicarboxylate
SMILESCOC(=O)c1c(C)cc2c(c1C(=O)OC)[C@H](OCc1ccccc1)C(C)(C)C2
InChIInChI=1S/C23H26O5/c1-14-11-16-12-23(2,3)20(28-13-15-9-7-6-8-10-15)18(16)19(22(25)27-5)17(14)21(24)26-4/h6-11,20H,12-13H2,1-5H3/t20-/m0/s1
InChIKeyJWAMULZWJTWSSE-FQEVSTJZSA-N
MW382.46 g/mol
LogP4.41
Rot. Bonds5

About dimethyl (3R)-2,2,6-trimethyl-3-phenylmethoxy-1,3-dihydroindene-4,5-dicarboxylate

dimethyl (3R)-2,2,6-trimethyl-3-phenylmethoxy-1,3-dihydroindene-4,5-dicarboxylate (PubChem CID 130455461) has the molecular formula C23H26O5 and a molecular weight of 382.46 g/mol. Its IUPAC name is dimethyl (3R)-2,2,6-trimethyl-3-phenylmethoxy-1,3-dihydroindene-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3R)-2,2,6-trimethyl-3-phenylmethoxy-1,3-dihydroindene-4,5-dicarboxylate
PubChem CID130455461
Molecular FormulaC23H26O5
Molecular Weight382.46 g/mol
Exact Mass382.18
IUPAC Namedimethyl (3R)-2,2,6-trimethyl-3-phenylmethoxy-1,3-dihydroindene-4,5-dicarboxylate
SMILESCOC(=O)c1c(C)cc2c(c1C(=O)OC)[C@H](OCc1ccccc1)C(C)(C)C2
InChIInChI=1S/C23H26O5/c1-14-11-16-12-23(2,3)20(28-13-15-9-7-6-8-10-15)18(16)19(22(25)27-5)17(14)21(24)26-4/h6-11,20H,12-13H2,1-5H3/t20-/m0/s1
InChIKeyJWAMULZWJTWSSE-FQEVSTJZSA-N
XLogP4.41
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl (3R)-2,2,6-trimethyl-3-phenylmethoxy-1,3-dihydroindene-4,5-dicarboxylate?
The IUPAC name of dimethyl (3R)-2,2,6-trimethyl-3-phenylmethoxy-1,3-dihydroindene-4,5-dicarboxylate (CID 130455461) is dimethyl (3R)-2,2,6-trimethyl-3-phenylmethoxy-1,3-dihydroindene-4,5-dicarboxylate.
What is the SMILES notation for dimethyl (3R)-2,2,6-trimethyl-3-phenylmethoxy-1,3-dihydroindene-4,5-dicarboxylate?
The canonical SMILES for dimethyl (3R)-2,2,6-trimethyl-3-phenylmethoxy-1,3-dihydroindene-4,5-dicarboxylate is COC(=O)c1c(C)cc2c(c1C(=O)OC)[C@H](OCc1ccccc1)C(C)(C)C2.
What is the InChIKey of dimethyl (3R)-2,2,6-trimethyl-3-phenylmethoxy-1,3-dihydroindene-4,5-dicarboxylate?
The InChIKey is JWAMULZWJTWSSE-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H26O5/c1-14-11-16-12-23(2,3)20(28-13-15-9-7-6-8-10-15)18(16)19(22(25)27-5)17(14)21(24)26-4/h6-11,20H,12-13H2,1-5H3/t20-/m0/s1.
What are the key properties of dimethyl (3R)-2,2,6-trimethyl-3-phenylmethoxy-1,3-dihydroindene-4,5-dicarboxylate?
dimethyl (3R)-2,2,6-trimethyl-3-phenylmethoxy-1,3-dihydroindene-4,5-dicarboxylate has a molecular weight of 382.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3R)-2,2,6-trimethyl-3-phenylmethoxy-1,3-dihydroindene-4,5-dicarboxylate is sourced from PubChem (CID 130455461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).