tert-butyl 2-[2-[6-(methoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethoxy]acetate

C23H36O6 — CID 22417422

IUPACtert-butyl 2-[2-[6-(methoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethoxy]acetate
SMILESCOCOc1c(C)c(C)c2c(c1C)CCC(C)(CCOCC(=O)OC(C)(C)C)O2
InChIInChI=1S/C23H36O6/c1-15-16(2)21-18(17(3)20(15)27-14-25-8)9-10-23(7,29-21)11-12-26-13-19(24)28-22(4,5)6/h9-14H2,1-8H3
InChIKeyGRMXYVIXYQTCKA-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.43
Rot. Bonds8

About tert-butyl 2-[2-[6-(methoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethoxy]acetate

tert-butyl 2-[2-[6-(methoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethoxy]acetate (PubChem CID 22417422) has the molecular formula C23H36O6 and a molecular weight of 408.54 g/mol. Its IUPAC name is tert-butyl 2-[2-[6-(methoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-[6-(methoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethoxy]acetate
PubChem CID22417422
Molecular FormulaC23H36O6
Molecular Weight408.54 g/mol
Exact Mass408.25
IUPAC Nametert-butyl 2-[2-[6-(methoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethoxy]acetate
SMILESCOCOc1c(C)c(C)c2c(c1C)CCC(C)(CCOCC(=O)OC(C)(C)C)O2
InChIInChI=1S/C23H36O6/c1-15-16(2)21-18(17(3)20(15)27-14-25-8)9-10-23(7,29-21)11-12-26-13-19(24)28-22(4,5)6/h9-14H2,1-8H3
InChIKeyGRMXYVIXYQTCKA-UHFFFAOYSA-N
XLogP4.43
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.43
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 tert-butyl 2-[2-[6-(methoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethoxy]acetate?
The IUPAC name of tert-butyl 2-[2-[6-(methoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethoxy]acetate (CID 22417422) is tert-butyl 2-[2-[6-(methoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethoxy]acetate.
What is the SMILES notation for tert-butyl 2-[2-[6-(methoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethoxy]acetate?
The canonical SMILES for tert-butyl 2-[2-[6-(methoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethoxy]acetate is COCOc1c(C)c(C)c2c(c1C)CCC(C)(CCOCC(=O)OC(C)(C)C)O2.
What is the InChIKey of tert-butyl 2-[2-[6-(methoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethoxy]acetate?
The InChIKey is GRMXYVIXYQTCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O6/c1-15-16(2)21-18(17(3)20(15)27-14-25-8)9-10-23(7,29-21)11-12-26-13-19(24)28-22(4,5)6/h9-14H2,1-8H3.
What are the key properties of tert-butyl 2-[2-[6-(methoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethoxy]acetate?
tert-butyl 2-[2-[6-(methoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethoxy]acetate has a molecular weight of 408.54 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[6-(methoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethoxy]acetate is sourced from PubChem (CID 22417422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).