[(3Z,6S,7R,8R,9S,11Z,13S,14S,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-18-hydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-3,11,16-trien-6-yl] carbamate

C42H79NO7Si2 — CID 71194898

About [(3Z,6S,7R,8R,9S,11Z,13S,14S,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-18-hydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-3,11,16-trien-6-yl] carbamate

[(3Z,6S,7R,8R,9S,11Z,13S,14S,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-18-hydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-3,11,16-trien-6-yl] carbamate (PubChem CID 71194898) has the molecular formula C42H79NO7Si2 and a molecular weight of 766.27 g/mol. Its IUPAC name is [(3Z,6S,7R,8R,9S,11Z,13S,14S,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-18-hydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-3,11,16-trien-6-yl] carbamate.

Molecular Properties

• Compound Name: [(3Z,6S,7R,8R,9S,11Z,13S,14S,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-18-hydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-3,11,16-trien-6-yl] carbamate
• PubChem CID: 71194898
• Molecular Formula: C42H79NO7Si2
• Molecular Weight: 766.27 g/mol
• Exact Mass: 765.54
• IUPAC Name: [(3Z,6S,7R,8R,9S,11Z,13S,14S,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-18-hydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-3,11,16-trien-6-yl] carbamate
• SMILES: CC/C=C\C(C)[C@H](OC(N)=O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)/C=C\C(O)CC1CCC(=O)O1
• InChI: InChI=1S/C42H79NO7Si2/c1-18-19-20-29(3)38(48-40(43)46)33(7)39(50-52(16,17)42(11,12)13)32(6)26-28(2)25-31(5)37(49-51(14,15)41(8,9)10)30(4)21-22-34(44)27-35-23-24-36(45)47-35/h19-22,25,29-35,37-39,44H,18,23-24,26-27H2,1-17H3,(H2,43,46)/b20-19-,22-21-,28-25-/t29?,30?,31-,32-,33+,34?,35?,37-,38-,39+/m0/s1
• InChIKey: WWQOTJZHOXROOE-HIDPBUONSA-N
• XLogP: 10.73
• TPSA: 117.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 20
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	766.27
LogP ≤ 5	10.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3Z,6S,7R,8R,9S,11Z,13S,14S,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-18-hydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-3,11,16-trien-6-yl] carbamate?

The IUPAC name of [(3Z,6S,7R,8R,9S,11Z,13S,14S,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-18-hydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-3,11,16-trien-6-yl] carbamate (CID 71194898) is [(3Z,6S,7R,8R,9S,11Z,13S,14S,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-18-hydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-3,11,16-trien-6-yl] carbamate.

What is the SMILES notation for [(3Z,6S,7R,8R,9S,11Z,13S,14S,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-18-hydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-3,11,16-trien-6-yl] carbamate?

The canonical SMILES for [(3Z,6S,7R,8R,9S,11Z,13S,14S,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-18-hydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-3,11,16-trien-6-yl] carbamate is CC/C=C\C(C)[C@H](OC(N)=O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)/C=C\C(O)CC1CCC(=O)O1.

What is the InChIKey of [(3Z,6S,7R,8R,9S,11Z,13S,14S,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-18-hydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-3,11,16-trien-6-yl] carbamate?

The InChIKey is WWQOTJZHOXROOE-HIDPBUONSA-N. The full InChI is InChI=1S/C42H79NO7Si2/c1-18-19-20-29(3)38(48-40(43)46)33(7)39(50-52(16,17)42(11,12)13)32(6)26-28(2)25-31(5)37(49-51(14,15)41(8,9)10)30(4)21-22-34(44)27-35-23-24-36(45)47-35/h19-22,25,29-35,37-39,44H,18,23-24,26-27H2,1-17H3,(H2,43,46)/b20-19-,22-21-,28-25-/t29?,30?,31-,32-,33+,34?,35?,37-,38-,39+/m0/s1.

What are the key properties of [(3Z,6S,7R,8R,9S,11Z,13S,14S,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-18-hydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-3,11,16-trien-6-yl] carbamate?

[(3Z,6S,7R,8R,9S,11Z,13S,14S,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-18-hydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-3,11,16-trien-6-yl] carbamate has a molecular weight of 766.27 g/mol, XLogP of 10.73, 20 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(3Z,6S,7R,8R,9S,11Z,13S,14S,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-18-hydroxy-5,7,9,11,13,15-hexamethyl-19-(5-oxooxolan-2-yl)nonadeca-3,11,16-trien-6-yl] carbamate is sourced from PubChem (CID 71194898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).