(E)-10-[3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-propyloxan-2-yl]-1-[4,7-dimethyl-2,3-di(propan-2-yl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]-5-[(4-methoxyphenyl)methoxy]-6-methylundec-3-ene-2,8-dione

C51H86O8Si — CID 167603572

About (E)-10-[3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-propyloxan-2-yl]-1-[4,7-dimethyl-2,3-di(propan-2-yl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]-5-[(4-methoxyphenyl)methoxy]-6-methylundec-3-ene-2,8-dione

(E)-10-[3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-propyloxan-2-yl]-1-[4,7-dimethyl-2,3-di(propan-2-yl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]-5-[(4-methoxyphenyl)methoxy]-6-methylundec-3-ene-2,8-dione (PubChem CID 167603572) has the molecular formula C51H86O8Si and a molecular weight of 855.33 g/mol. Its IUPAC name is (E)-10-[3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-propyloxan-2-yl]-1-[4,7-dimethyl-2,3-di(propan-2-yl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]-5-[(4-methoxyphenyl)methoxy]-6-methylundec-3-ene-2,8-dione.

Molecular Properties

• Compound Name: (E)-10-[3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-propyloxan-2-yl]-1-[4,7-dimethyl-2,3-di(propan-2-yl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]-5-[(4-methoxyphenyl)methoxy]-6-methylundec-3-ene-2,8-dione
• PubChem CID: 167603572
• Molecular Formula: C51H86O8Si
• Molecular Weight: 855.33 g/mol
• Exact Mass: 854.61
• IUPAC Name: (E)-10-[3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-propyloxan-2-yl]-1-[4,7-dimethyl-2,3-di(propan-2-yl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]-5-[(4-methoxyphenyl)methoxy]-6-methylundec-3-ene-2,8-dione
• SMILES: CCCC1OC(C(C)CC(=O)CC(C)C(/C=C/C(=O)CC2OC3C(CC2C)OC(C(C)C)C(C(C)C)C3C)OCc2ccc(OC)cc2)C(O[Si](C)(C)C(C)(C)C)CC1C
• InChI: InChI=1S/C51H86O8Si/c1-17-18-43-34(7)28-46(59-60(15,16)51(11,12)13)49(56-43)36(9)26-40(53)25-33(6)42(55-30-38-19-22-41(54-14)23-20-38)24-21-39(52)29-44-35(8)27-45-50(57-44)37(10)47(31(2)3)48(58-45)32(4)5/h19-24,31-37,42-50H,17-18,25-30H2,1-16H3/b24-21+
• InChIKey: JVTMLGDVGPXHGW-DARPEHSRSA-N
• XLogP: 11.83
• TPSA: 89.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 20
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.33
LogP ≤ 5	11.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-10-[3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-propyloxan-2-yl]-1-[4,7-dimethyl-2,3-di(propan-2-yl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]-5-[(4-methoxyphenyl)methoxy]-6-methylundec-3-ene-2,8-dione?

The IUPAC name of (E)-10-[3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-propyloxan-2-yl]-1-[4,7-dimethyl-2,3-di(propan-2-yl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]-5-[(4-methoxyphenyl)methoxy]-6-methylundec-3-ene-2,8-dione (CID 167603572) is (E)-10-[3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-propyloxan-2-yl]-1-[4,7-dimethyl-2,3-di(propan-2-yl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]-5-[(4-methoxyphenyl)methoxy]-6-methylundec-3-ene-2,8-dione.

What is the SMILES notation for (E)-10-[3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-propyloxan-2-yl]-1-[4,7-dimethyl-2,3-di(propan-2-yl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]-5-[(4-methoxyphenyl)methoxy]-6-methylundec-3-ene-2,8-dione?

The canonical SMILES for (E)-10-[3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-propyloxan-2-yl]-1-[4,7-dimethyl-2,3-di(propan-2-yl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]-5-[(4-methoxyphenyl)methoxy]-6-methylundec-3-ene-2,8-dione is CCCC1OC(C(C)CC(=O)CC(C)C(/C=C/C(=O)CC2OC3C(CC2C)OC(C(C)C)C(C(C)C)C3C)OCc2ccc(OC)cc2)C(O[Si](C)(C)C(C)(C)C)CC1C.

What is the InChIKey of (E)-10-[3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-propyloxan-2-yl]-1-[4,7-dimethyl-2,3-di(propan-2-yl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]-5-[(4-methoxyphenyl)methoxy]-6-methylundec-3-ene-2,8-dione?

The InChIKey is JVTMLGDVGPXHGW-DARPEHSRSA-N. The full InChI is InChI=1S/C51H86O8Si/c1-17-18-43-34(7)28-46(59-60(15,16)51(11,12)13)49(56-43)36(9)26-40(53)25-33(6)42(55-30-38-19-22-41(54-14)23-20-38)24-21-39(52)29-44-35(8)27-45-50(57-44)37(10)47(31(2)3)48(58-45)32(4)5/h19-24,31-37,42-50H,17-18,25-30H2,1-16H3/b24-21+.

What are the key properties of (E)-10-[3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-propyloxan-2-yl]-1-[4,7-dimethyl-2,3-di(propan-2-yl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]-5-[(4-methoxyphenyl)methoxy]-6-methylundec-3-ene-2,8-dione?

(E)-10-[3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-propyloxan-2-yl]-1-[4,7-dimethyl-2,3-di(propan-2-yl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]-5-[(4-methoxyphenyl)methoxy]-6-methylundec-3-ene-2,8-dione has a molecular weight of 855.33 g/mol, XLogP of 11.83, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-10-[3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-propyloxan-2-yl]-1-[4,7-dimethyl-2,3-di(propan-2-yl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]-5-[(4-methoxyphenyl)methoxy]-6-methylundec-3-ene-2,8-dione is sourced from PubChem (CID 167603572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).