methyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate;2-methylpropyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate

C33H46O8 — CID 158142227

IUPACmethyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate;2-methylpropyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate
SMILESCOC(=O)C1(C)CCc2c(C)c(O)c(C)c(C)c2O1.Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)OCC(C)C)O2
InChIInChI=1S/C18H26O4.C15H20O4/c1-10(2)9-21-17(20)18(6)8-7-14-13(5)15(19)11(3)12(4)16(14)22-18;1-8-9(2)13-11(10(3)12(8)16)6-7-15(4,19-13)14(17)18-5/h10,19H,7-9H2,1-6H3;16H,6-7H2,1-5H3
InChIKeyFUBUNMWRQHTJMQ-UHFFFAOYSA-N
MW570.72 g/mol
LogP6.17
Rot. Bonds4

About methyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate;2-methylpropyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate

methyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate;2-methylpropyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate (PubChem CID 158142227) has the molecular formula C33H46O8 and a molecular weight of 570.72 g/mol. Its IUPAC name is methyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate;2-methylpropyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate;2-methylpropyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate
PubChem CID158142227
Molecular FormulaC33H46O8
Molecular Weight570.72 g/mol
Exact Mass570.32
IUPAC Namemethyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate;2-methylpropyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate
SMILESCOC(=O)C1(C)CCc2c(C)c(O)c(C)c(C)c2O1.Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)OCC(C)C)O2
InChIInChI=1S/C18H26O4.C15H20O4/c1-10(2)9-21-17(20)18(6)8-7-14-13(5)15(19)11(3)12(4)16(14)22-18;1-8-9(2)13-11(10(3)12(8)16)6-7-15(4,19-13)14(17)18-5/h10,19H,7-9H2,1-6H3;16H,6-7H2,1-5H3
InChIKeyFUBUNMWRQHTJMQ-UHFFFAOYSA-N
XLogP6.17
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.72
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate;2-methylpropyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate;2-methylpropyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate?
The IUPAC name of methyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate;2-methylpropyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate (CID 158142227) is methyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate;2-methylpropyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate.
What is the SMILES notation for methyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate;2-methylpropyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate?
The canonical SMILES for methyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate;2-methylpropyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate is COC(=O)C1(C)CCc2c(C)c(O)c(C)c(C)c2O1.Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)OCC(C)C)O2.
What is the InChIKey of methyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate;2-methylpropyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate?
The InChIKey is FUBUNMWRQHTJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4.C15H20O4/c1-10(2)9-21-17(20)18(6)8-7-14-13(5)15(19)11(3)12(4)16(14)22-18;1-8-9(2)13-11(10(3)12(8)16)6-7-15(4,19-13)14(17)18-5/h10,19H,7-9H2,1-6H3;16H,6-7H2,1-5H3.
What are the key properties of methyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate;2-methylpropyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate?
methyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate;2-methylpropyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate has a molecular weight of 570.72 g/mol, XLogP of 6.17, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate;2-methylpropyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate is sourced from PubChem (CID 158142227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).