ethyl (2S)-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate

C20H30O6 — CID 140947917

IUPACethyl (2S)-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate
SMILESCCOC(=O)[C@]1(C)CCc2c(C)c(OCOCCOC)c(C)c(C)c2O1
InChIInChI=1S/C20H30O6/c1-7-24-19(21)20(5)9-8-16-15(4)17(25-12-23-11-10-22-6)13(2)14(3)18(16)26-20/h7-12H2,1-6H3/t20-/m0/s1
InChIKeyMGCCPECZXFXJOL-FQEVSTJZSA-N
MW366.45 g/mol
LogP3.26
Rot. Bonds8

About ethyl (2S)-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate

ethyl (2S)-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate (PubChem CID 140947917) has the molecular formula C20H30O6 and a molecular weight of 366.45 g/mol. Its IUPAC name is ethyl (2S)-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate
PubChem CID140947917
Molecular FormulaC20H30O6
Molecular Weight366.45 g/mol
Exact Mass366.20
IUPAC Nameethyl (2S)-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate
SMILESCCOC(=O)[C@]1(C)CCc2c(C)c(OCOCCOC)c(C)c(C)c2O1
InChIInChI=1S/C20H30O6/c1-7-24-19(21)20(5)9-8-16-15(4)17(25-12-23-11-10-22-6)13(2)14(3)18(16)26-20/h7-12H2,1-6H3/t20-/m0/s1
InChIKeyMGCCPECZXFXJOL-FQEVSTJZSA-N
XLogP3.26
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate?
The IUPAC name of ethyl (2S)-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate (CID 140947917) is ethyl (2S)-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate.
What is the SMILES notation for ethyl (2S)-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate?
The canonical SMILES for ethyl (2S)-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate is CCOC(=O)[C@]1(C)CCc2c(C)c(OCOCCOC)c(C)c(C)c2O1.
What is the InChIKey of ethyl (2S)-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate?
The InChIKey is MGCCPECZXFXJOL-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H30O6/c1-7-24-19(21)20(5)9-8-16-15(4)17(25-12-23-11-10-22-6)13(2)14(3)18(16)26-20/h7-12H2,1-6H3/t20-/m0/s1.
What are the key properties of ethyl (2S)-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate?
ethyl (2S)-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate has a molecular weight of 366.45 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-6-(2-methoxyethoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate is sourced from PubChem (CID 140947917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).