1-[1-[[3-(2,2-dimethylpropanoyloxy)-5-hydroxy-6-methoxy-3,9-dimethyl-1,8-dioxaspiro[3.5]nonan-7-yl]methoxy]propan-2-yloxy]propan-2-yl 2,2-dimethylpropanoate

C27H48O10 — CID 20764886

About 1-[1-[[3-(2,2-dimethylpropanoyloxy)-5-hydroxy-6-methoxy-3,9-dimethyl-1,8-dioxaspiro[3.5]nonan-7-yl]methoxy]propan-2-yloxy]propan-2-yl 2,2-dimethylpropanoate

1-[1-[[3-(2,2-dimethylpropanoyloxy)-5-hydroxy-6-methoxy-3,9-dimethyl-1,8-dioxaspiro[3.5]nonan-7-yl]methoxy]propan-2-yloxy]propan-2-yl 2,2-dimethylpropanoate (PubChem CID 20764886) has the molecular formula C27H48O10 and a molecular weight of 532.67 g/mol. Its IUPAC name is 1-[1-[[3-(2,2-dimethylpropanoyloxy)-5-hydroxy-6-methoxy-3,9-dimethyl-1,8-dioxaspiro[3.5]nonan-7-yl]methoxy]propan-2-yloxy]propan-2-yl 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: 1-[1-[[3-(2,2-dimethylpropanoyloxy)-5-hydroxy-6-methoxy-3,9-dimethyl-1,8-dioxaspiro[3.5]nonan-7-yl]methoxy]propan-2-yloxy]propan-2-yl 2,2-dimethylpropanoate
• PubChem CID: 20764886
• Molecular Formula: C27H48O10
• Molecular Weight: 532.67 g/mol
• Exact Mass: 532.32
• IUPAC Name: 1-[1-[[3-(2,2-dimethylpropanoyloxy)-5-hydroxy-6-methoxy-3,9-dimethyl-1,8-dioxaspiro[3.5]nonan-7-yl]methoxy]propan-2-yloxy]propan-2-yl 2,2-dimethylpropanoate
• SMILES: COC1C(COCC(C)OCC(C)OC(=O)C(C)(C)C)OC(C)C2(OCC2(C)OC(=O)C(C)(C)C)C1O
• InChI: InChI=1S/C27H48O10/c1-16(33-13-17(2)35-22(29)24(4,5)6)12-32-14-19-20(31-11)21(28)27(18(3)36-19)26(10,15-34-27)37-23(30)25(7,8)9/h16-21,28H,12-15H2,1-11H3
• InChIKey: CLFNBUJDNNLSHX-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 118.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.67
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-(2,2-dimethylpropanoyloxy)-5-hydroxy-6-methoxy-3,9-dimethyl-1,8-dioxaspiro[3.5]nonan-7-yl]methoxy]propan-2-yloxy]propan-2-yl 2,2-dimethylpropanoate?

The IUPAC name of 1-[1-[[3-(2,2-dimethylpropanoyloxy)-5-hydroxy-6-methoxy-3,9-dimethyl-1,8-dioxaspiro[3.5]nonan-7-yl]methoxy]propan-2-yloxy]propan-2-yl 2,2-dimethylpropanoate (CID 20764886) is 1-[1-[[3-(2,2-dimethylpropanoyloxy)-5-hydroxy-6-methoxy-3,9-dimethyl-1,8-dioxaspiro[3.5]nonan-7-yl]methoxy]propan-2-yloxy]propan-2-yl 2,2-dimethylpropanoate.

What is the SMILES notation for 1-[1-[[3-(2,2-dimethylpropanoyloxy)-5-hydroxy-6-methoxy-3,9-dimethyl-1,8-dioxaspiro[3.5]nonan-7-yl]methoxy]propan-2-yloxy]propan-2-yl 2,2-dimethylpropanoate?

The canonical SMILES for 1-[1-[[3-(2,2-dimethylpropanoyloxy)-5-hydroxy-6-methoxy-3,9-dimethyl-1,8-dioxaspiro[3.5]nonan-7-yl]methoxy]propan-2-yloxy]propan-2-yl 2,2-dimethylpropanoate is COC1C(COCC(C)OCC(C)OC(=O)C(C)(C)C)OC(C)C2(OCC2(C)OC(=O)C(C)(C)C)C1O.

What is the InChIKey of 1-[1-[[3-(2,2-dimethylpropanoyloxy)-5-hydroxy-6-methoxy-3,9-dimethyl-1,8-dioxaspiro[3.5]nonan-7-yl]methoxy]propan-2-yloxy]propan-2-yl 2,2-dimethylpropanoate?

The InChIKey is CLFNBUJDNNLSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48O10/c1-16(33-13-17(2)35-22(29)24(4,5)6)12-32-14-19-20(31-11)21(28)27(18(3)36-19)26(10,15-34-27)37-23(30)25(7,8)9/h16-21,28H,12-15H2,1-11H3.

What are the key properties of 1-[1-[[3-(2,2-dimethylpropanoyloxy)-5-hydroxy-6-methoxy-3,9-dimethyl-1,8-dioxaspiro[3.5]nonan-7-yl]methoxy]propan-2-yloxy]propan-2-yl 2,2-dimethylpropanoate?

1-[1-[[3-(2,2-dimethylpropanoyloxy)-5-hydroxy-6-methoxy-3,9-dimethyl-1,8-dioxaspiro[3.5]nonan-7-yl]methoxy]propan-2-yloxy]propan-2-yl 2,2-dimethylpropanoate has a molecular weight of 532.67 g/mol, XLogP of 2.67, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[[3-(2,2-dimethylpropanoyloxy)-5-hydroxy-6-methoxy-3,9-dimethyl-1,8-dioxaspiro[3.5]nonan-7-yl]methoxy]propan-2-yloxy]propan-2-yl 2,2-dimethylpropanoate is sourced from PubChem (CID 20764886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).