4-[6-[(2R,3R,4R,5R)-3,4-dimethyl-5-(1-oxa-3-azaspiro[4.5]dec-2-en-8-yloxy)oxolan-2-yl]-4-methoxy-1,3-benzodioxol-5-yl]-2,6-dimethoxyphenol

C30H37NO9 — CID 102344275

About 4-[6-[(2R,3R,4R,5R)-3,4-dimethyl-5-(1-oxa-3-azaspiro[4.5]dec-2-en-8-yloxy)oxolan-2-yl]-4-methoxy-1,3-benzodioxol-5-yl]-2,6-dimethoxyphenol

4-[6-[(2R,3R,4R,5R)-3,4-dimethyl-5-(1-oxa-3-azaspiro[4.5]dec-2-en-8-yloxy)oxolan-2-yl]-4-methoxy-1,3-benzodioxol-5-yl]-2,6-dimethoxyphenol (PubChem CID 102344275) has the molecular formula C30H37NO9 and a molecular weight of 555.62 g/mol. Its IUPAC name is 4-[6-[(2R,3R,4R,5R)-3,4-dimethyl-5-(1-oxa-3-azaspiro[4.5]dec-2-en-8-yloxy)oxolan-2-yl]-4-methoxy-1,3-benzodioxol-5-yl]-2,6-dimethoxyphenol.

Molecular Properties

• Compound Name: 4-[6-[(2R,3R,4R,5R)-3,4-dimethyl-5-(1-oxa-3-azaspiro[4.5]dec-2-en-8-yloxy)oxolan-2-yl]-4-methoxy-1,3-benzodioxol-5-yl]-2,6-dimethoxyphenol
• PubChem CID: 102344275
• Molecular Formula: C30H37NO9
• Molecular Weight: 555.62 g/mol
• Exact Mass: 555.25
• IUPAC Name: 4-[6-[(2R,3R,4R,5R)-3,4-dimethyl-5-(1-oxa-3-azaspiro[4.5]dec-2-en-8-yloxy)oxolan-2-yl]-4-methoxy-1,3-benzodioxol-5-yl]-2,6-dimethoxyphenol
• SMILES: COc1cc(-c2c([C@@H]3O[C@@H](OC4CCC5(CC4)CN=CO5)[C@H](C)[C@H]3C)cc3c(c2OC)OCO3)cc(OC)c1O
• InChI: InChI=1S/C30H37NO9/c1-16-17(2)29(39-19-6-8-30(9-7-19)13-31-14-38-30)40-26(16)20-12-23-27(37-15-36-23)28(35-5)24(20)18-10-21(33-3)25(32)22(11-18)34-4/h10-12,14,16-17,19,26,29,32H,6-9,13,15H2,1-5H3/t16-,17-,19?,26-,29-,30?/m1/s1
• InChIKey: UYVWMMXJNLLACC-HDSBFNCKSA-N
• XLogP: 5.24
• TPSA: 106.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.62
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2R,3R,4R,5R)-3,4-dimethyl-5-(1-oxa-3-azaspiro[4.5]dec-2-en-8-yloxy)oxolan-2-yl]-4-methoxy-1,3-benzodioxol-5-yl]-2,6-dimethoxyphenol?

The IUPAC name of 4-[6-[(2R,3R,4R,5R)-3,4-dimethyl-5-(1-oxa-3-azaspiro[4.5]dec-2-en-8-yloxy)oxolan-2-yl]-4-methoxy-1,3-benzodioxol-5-yl]-2,6-dimethoxyphenol (CID 102344275) is 4-[6-[(2R,3R,4R,5R)-3,4-dimethyl-5-(1-oxa-3-azaspiro[4.5]dec-2-en-8-yloxy)oxolan-2-yl]-4-methoxy-1,3-benzodioxol-5-yl]-2,6-dimethoxyphenol.

What is the SMILES notation for 4-[6-[(2R,3R,4R,5R)-3,4-dimethyl-5-(1-oxa-3-azaspiro[4.5]dec-2-en-8-yloxy)oxolan-2-yl]-4-methoxy-1,3-benzodioxol-5-yl]-2,6-dimethoxyphenol?

The canonical SMILES for 4-[6-[(2R,3R,4R,5R)-3,4-dimethyl-5-(1-oxa-3-azaspiro[4.5]dec-2-en-8-yloxy)oxolan-2-yl]-4-methoxy-1,3-benzodioxol-5-yl]-2,6-dimethoxyphenol is COc1cc(-c2c([C@@H]3O[C@@H](OC4CCC5(CC4)CN=CO5)[C@H](C)[C@H]3C)cc3c(c2OC)OCO3)cc(OC)c1O.

What is the InChIKey of 4-[6-[(2R,3R,4R,5R)-3,4-dimethyl-5-(1-oxa-3-azaspiro[4.5]dec-2-en-8-yloxy)oxolan-2-yl]-4-methoxy-1,3-benzodioxol-5-yl]-2,6-dimethoxyphenol?

The InChIKey is UYVWMMXJNLLACC-HDSBFNCKSA-N. The full InChI is InChI=1S/C30H37NO9/c1-16-17(2)29(39-19-6-8-30(9-7-19)13-31-14-38-30)40-26(16)20-12-23-27(37-15-36-23)28(35-5)24(20)18-10-21(33-3)25(32)22(11-18)34-4/h10-12,14,16-17,19,26,29,32H,6-9,13,15H2,1-5H3/t16-,17-,19?,26-,29-,30?/m1/s1.

What are the key properties of 4-[6-[(2R,3R,4R,5R)-3,4-dimethyl-5-(1-oxa-3-azaspiro[4.5]dec-2-en-8-yloxy)oxolan-2-yl]-4-methoxy-1,3-benzodioxol-5-yl]-2,6-dimethoxyphenol?

4-[6-[(2R,3R,4R,5R)-3,4-dimethyl-5-(1-oxa-3-azaspiro[4.5]dec-2-en-8-yloxy)oxolan-2-yl]-4-methoxy-1,3-benzodioxol-5-yl]-2,6-dimethoxyphenol has a molecular weight of 555.62 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[(2R,3R,4R,5R)-3,4-dimethyl-5-(1-oxa-3-azaspiro[4.5]dec-2-en-8-yloxy)oxolan-2-yl]-4-methoxy-1,3-benzodioxol-5-yl]-2,6-dimethoxyphenol is sourced from PubChem (CID 102344275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).