methyl 10-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromene-5-carboxylate

C19H26O5 — CID 851414

IUPACmethyl 10-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromene-5-carboxylate
SMILESCOC(=O)c1c2c(c(OC)c3c1CCC(C)(C)O3)OC(C)(C)CC2
InChIInChI=1S/C19H26O5/c1-18(2)9-7-11-13(17(20)22-6)12-8-10-19(3,4)24-15(12)16(21-5)14(11)23-18/h7-10H2,1-6H3
InChIKeyWTAUDEUPLYEARO-UHFFFAOYSA-N
MW334.41 g/mol
LogP3.69
Rot. Bonds2

About methyl 10-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromene-5-carboxylate

methyl 10-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromene-5-carboxylate (PubChem CID 851414) has the molecular formula C19H26O5 and a molecular weight of 334.41 g/mol. Its IUPAC name is methyl 10-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromene-5-carboxylate.

Molecular Properties

Compound Namemethyl 10-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromene-5-carboxylate
PubChem CID851414
Molecular FormulaC19H26O5
Molecular Weight334.41 g/mol
Exact Mass334.18
IUPAC Namemethyl 10-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromene-5-carboxylate
SMILESCOC(=O)c1c2c(c(OC)c3c1CCC(C)(C)O3)OC(C)(C)CC2
InChIInChI=1S/C19H26O5/c1-18(2)9-7-11-13(17(20)22-6)12-8-10-19(3,4)24-15(12)16(21-5)14(11)23-18/h7-10H2,1-6H3
InChIKeyWTAUDEUPLYEARO-UHFFFAOYSA-N
XLogP3.69
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 10-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromene-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 10-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromene-5-carboxylate?
The IUPAC name of methyl 10-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromene-5-carboxylate (CID 851414) is methyl 10-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromene-5-carboxylate.
What is the SMILES notation for methyl 10-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromene-5-carboxylate?
The canonical SMILES for methyl 10-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromene-5-carboxylate is COC(=O)c1c2c(c(OC)c3c1CCC(C)(C)O3)OC(C)(C)CC2.
What is the InChIKey of methyl 10-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromene-5-carboxylate?
The InChIKey is WTAUDEUPLYEARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O5/c1-18(2)9-7-11-13(17(20)22-6)12-8-10-19(3,4)24-15(12)16(21-5)14(11)23-18/h7-10H2,1-6H3.
What are the key properties of methyl 10-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromene-5-carboxylate?
methyl 10-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromene-5-carboxylate has a molecular weight of 334.41 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromene-5-carboxylate is sourced from PubChem (CID 851414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).