[(3Z,5S,6S,7R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-5,7,9,11,13,15-hexamethyl-8,16-dioxohexadeca-1,3,11-trien-6-yl] carbamate

C29H51NO5Si — CID 134950440

About [(3Z,5S,6S,7R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-5,7,9,11,13,15-hexamethyl-8,16-dioxohexadeca-1,3,11-trien-6-yl] carbamate

[(3Z,5S,6S,7R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-5,7,9,11,13,15-hexamethyl-8,16-dioxohexadeca-1,3,11-trien-6-yl] carbamate (PubChem CID 134950440) has the molecular formula C29H51NO5Si and a molecular weight of 521.82 g/mol. Its IUPAC name is [(3Z,5S,6S,7R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-5,7,9,11,13,15-hexamethyl-8,16-dioxohexadeca-1,3,11-trien-6-yl] carbamate.

Molecular Properties

• Compound Name: [(3Z,5S,6S,7R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-5,7,9,11,13,15-hexamethyl-8,16-dioxohexadeca-1,3,11-trien-6-yl] carbamate
• PubChem CID: 134950440
• Molecular Formula: C29H51NO5Si
• Molecular Weight: 521.82 g/mol
• Exact Mass: 521.35
• IUPAC Name: [(3Z,5S,6S,7R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-5,7,9,11,13,15-hexamethyl-8,16-dioxohexadeca-1,3,11-trien-6-yl] carbamate
• SMILES: C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)C(=O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O
• InChI: InChI=1S/C29H51NO5Si/c1-13-14-15-20(3)27(34-28(30)33)24(7)25(32)21(4)16-19(2)17-22(5)26(23(6)18-31)35-36(11,12)29(8,9)10/h13-15,17-18,20-24,26-27H,1,16H2,2-12H3,(H2,30,33)/b15-14-,19-17-/t20-,21-,22-,23-,24-,26+,27-/m0/s1
• InChIKey: QFUMZEAPXGZVTH-HWVGYVDWSA-N
• XLogP: 6.87
• TPSA: 95.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.82
LogP ≤ 5	6.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3Z,5S,6S,7R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-5,7,9,11,13,15-hexamethyl-8,16-dioxohexadeca-1,3,11-trien-6-yl] carbamate?

The IUPAC name of [(3Z,5S,6S,7R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-5,7,9,11,13,15-hexamethyl-8,16-dioxohexadeca-1,3,11-trien-6-yl] carbamate (CID 134950440) is [(3Z,5S,6S,7R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-5,7,9,11,13,15-hexamethyl-8,16-dioxohexadeca-1,3,11-trien-6-yl] carbamate.

What is the SMILES notation for [(3Z,5S,6S,7R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-5,7,9,11,13,15-hexamethyl-8,16-dioxohexadeca-1,3,11-trien-6-yl] carbamate?

The canonical SMILES for [(3Z,5S,6S,7R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-5,7,9,11,13,15-hexamethyl-8,16-dioxohexadeca-1,3,11-trien-6-yl] carbamate is C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)C(=O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O.

What is the InChIKey of [(3Z,5S,6S,7R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-5,7,9,11,13,15-hexamethyl-8,16-dioxohexadeca-1,3,11-trien-6-yl] carbamate?

The InChIKey is QFUMZEAPXGZVTH-HWVGYVDWSA-N. The full InChI is InChI=1S/C29H51NO5Si/c1-13-14-15-20(3)27(34-28(30)33)24(7)25(32)21(4)16-19(2)17-22(5)26(23(6)18-31)35-36(11,12)29(8,9)10/h13-15,17-18,20-24,26-27H,1,16H2,2-12H3,(H2,30,33)/b15-14-,19-17-/t20-,21-,22-,23-,24-,26+,27-/m0/s1.

What are the key properties of [(3Z,5S,6S,7R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-5,7,9,11,13,15-hexamethyl-8,16-dioxohexadeca-1,3,11-trien-6-yl] carbamate?

[(3Z,5S,6S,7R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-5,7,9,11,13,15-hexamethyl-8,16-dioxohexadeca-1,3,11-trien-6-yl] carbamate has a molecular weight of 521.82 g/mol, XLogP of 6.87, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3Z,5S,6S,7R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-5,7,9,11,13,15-hexamethyl-8,16-dioxohexadeca-1,3,11-trien-6-yl] carbamate is sourced from PubChem (CID 134950440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).