(1R,3E,7S,9S,10E,14R,15R)-7-[(E,2S,3R)-5-iodo-3-methoxy-4-methylpent-4-en-2-yl]-10,14-dimethyl-9-tri(propan-2-yl)silyloxy-6,16-dioxabicyclo[13.3.1]nonadeca-3,10-dien-12-yne-5,17-dione

C35H55IO6Si — CID 71723184

About (1R,3E,7S,9S,10E,14R,15R)-7-[(E,2S,3R)-5-iodo-3-methoxy-4-methylpent-4-en-2-yl]-10,14-dimethyl-9-tri(propan-2-yl)silyloxy-6,16-dioxabicyclo[13.3.1]nonadeca-3,10-dien-12-yne-5,17-dione

(1R,3E,7S,9S,10E,14R,15R)-7-[(E,2S,3R)-5-iodo-3-methoxy-4-methylpent-4-en-2-yl]-10,14-dimethyl-9-tri(propan-2-yl)silyloxy-6,16-dioxabicyclo[13.3.1]nonadeca-3,10-dien-12-yne-5,17-dione (PubChem CID 71723184) has the molecular formula C35H55IO6Si and a molecular weight of 726.81 g/mol. Its IUPAC name is (1R,3E,7S,9S,10E,14R,15R)-7-[(E,2S,3R)-5-iodo-3-methoxy-4-methylpent-4-en-2-yl]-10,14-dimethyl-9-tri(propan-2-yl)silyloxy-6,16-dioxabicyclo[13.3.1]nonadeca-3,10-dien-12-yne-5,17-dione.

Molecular Properties

• Compound Name: (1R,3E,7S,9S,10E,14R,15R)-7-[(E,2S,3R)-5-iodo-3-methoxy-4-methylpent-4-en-2-yl]-10,14-dimethyl-9-tri(propan-2-yl)silyloxy-6,16-dioxabicyclo[13.3.1]nonadeca-3,10-dien-12-yne-5,17-dione
• PubChem CID: 71723184
• Molecular Formula: C35H55IO6Si
• Molecular Weight: 726.81 g/mol
• Exact Mass: 726.28
• IUPAC Name: (1R,3E,7S,9S,10E,14R,15R)-7-[(E,2S,3R)-5-iodo-3-methoxy-4-methylpent-4-en-2-yl]-10,14-dimethyl-9-tri(propan-2-yl)silyloxy-6,16-dioxabicyclo[13.3.1]nonadeca-3,10-dien-12-yne-5,17-dione
• SMILES: CO[C@@H](/C(C)=C/I)[C@@H](C)[C@@H]1C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)/C(C)=C/C#C[C@@H](C)[C@H]2C[C@@H](C/C=C/C(=O)O1)CC(=O)O2
• InChI: InChI=1S/C35H55IO6Si/c1-22(2)43(23(3)4,24(5)6)42-31-20-32(28(10)35(39-11)27(9)21-36)41-33(37)17-13-16-29-18-30(40-34(38)19-29)25(7)14-12-15-26(31)8/h13,15,17,21-25,28-32,35H,16,18-20H2,1-11H3/b17-13+,26-15+,27-21+/t25-,28+,29-,30-,31+,32+,35+/m1/s1
• InChIKey: UJCGEJRAMKOJLB-LWAWVSFOSA-N
• XLogP: 8.71
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.81
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,3E,7S,9S,10E,14R,15R)-7-[(E,2S,3R)-5-iodo-3-methoxy-4-methylpent-4-en-2-yl]-10,14-dimethyl-9-tri(propan-2-yl)silyloxy-6,16-dioxabicyclo[13.3.1]nonadeca-3,10-dien-12-yne-5,17-dione?

The IUPAC name of (1R,3E,7S,9S,10E,14R,15R)-7-[(E,2S,3R)-5-iodo-3-methoxy-4-methylpent-4-en-2-yl]-10,14-dimethyl-9-tri(propan-2-yl)silyloxy-6,16-dioxabicyclo[13.3.1]nonadeca-3,10-dien-12-yne-5,17-dione (CID 71723184) is (1R,3E,7S,9S,10E,14R,15R)-7-[(E,2S,3R)-5-iodo-3-methoxy-4-methylpent-4-en-2-yl]-10,14-dimethyl-9-tri(propan-2-yl)silyloxy-6,16-dioxabicyclo[13.3.1]nonadeca-3,10-dien-12-yne-5,17-dione.

What is the SMILES notation for (1R,3E,7S,9S,10E,14R,15R)-7-[(E,2S,3R)-5-iodo-3-methoxy-4-methylpent-4-en-2-yl]-10,14-dimethyl-9-tri(propan-2-yl)silyloxy-6,16-dioxabicyclo[13.3.1]nonadeca-3,10-dien-12-yne-5,17-dione?

The canonical SMILES for (1R,3E,7S,9S,10E,14R,15R)-7-[(E,2S,3R)-5-iodo-3-methoxy-4-methylpent-4-en-2-yl]-10,14-dimethyl-9-tri(propan-2-yl)silyloxy-6,16-dioxabicyclo[13.3.1]nonadeca-3,10-dien-12-yne-5,17-dione is CO[C@@H](/C(C)=C/I)[C@@H](C)[C@@H]1C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)/C(C)=C/C#C[C@@H](C)[C@H]2C[C@@H](C/C=C/C(=O)O1)CC(=O)O2.

What is the InChIKey of (1R,3E,7S,9S,10E,14R,15R)-7-[(E,2S,3R)-5-iodo-3-methoxy-4-methylpent-4-en-2-yl]-10,14-dimethyl-9-tri(propan-2-yl)silyloxy-6,16-dioxabicyclo[13.3.1]nonadeca-3,10-dien-12-yne-5,17-dione?

The InChIKey is UJCGEJRAMKOJLB-LWAWVSFOSA-N. The full InChI is InChI=1S/C35H55IO6Si/c1-22(2)43(23(3)4,24(5)6)42-31-20-32(28(10)35(39-11)27(9)21-36)41-33(37)17-13-16-29-18-30(40-34(38)19-29)25(7)14-12-15-26(31)8/h13,15,17,21-25,28-32,35H,16,18-20H2,1-11H3/b17-13+,26-15+,27-21+/t25-,28+,29-,30-,31+,32+,35+/m1/s1.

What are the key properties of (1R,3E,7S,9S,10E,14R,15R)-7-[(E,2S,3R)-5-iodo-3-methoxy-4-methylpent-4-en-2-yl]-10,14-dimethyl-9-tri(propan-2-yl)silyloxy-6,16-dioxabicyclo[13.3.1]nonadeca-3,10-dien-12-yne-5,17-dione?

(1R,3E,7S,9S,10E,14R,15R)-7-[(E,2S,3R)-5-iodo-3-methoxy-4-methylpent-4-en-2-yl]-10,14-dimethyl-9-tri(propan-2-yl)silyloxy-6,16-dioxabicyclo[13.3.1]nonadeca-3,10-dien-12-yne-5,17-dione has a molecular weight of 726.81 g/mol, XLogP of 8.71, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,3E,7S,9S,10E,14R,15R)-7-[(E,2S,3R)-5-iodo-3-methoxy-4-methylpent-4-en-2-yl]-10,14-dimethyl-9-tri(propan-2-yl)silyloxy-6,16-dioxabicyclo[13.3.1]nonadeca-3,10-dien-12-yne-5,17-dione is sourced from PubChem (CID 71723184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).