1-[4-[(7aR)-4-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-4-methylpent-2-enoyl]-N,N-dimethylcyclopropane-1-carboxamide

C43H73NO4Si2 — CID 91005847

About 1-[4-[(7aR)-4-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-4-methylpent-2-enoyl]-N,N-dimethylcyclopropane-1-carboxamide

1-[4-[(7aR)-4-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-4-methylpent-2-enoyl]-N,N-dimethylcyclopropane-1-carboxamide (PubChem CID 91005847) has the molecular formula C43H73NO4Si2 and a molecular weight of 724.23 g/mol. Its IUPAC name is 1-[4-[(7aR)-4-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-4-methylpent-2-enoyl]-N,N-dimethylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[4-[(7aR)-4-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-4-methylpent-2-enoyl]-N,N-dimethylcyclopropane-1-carboxamide
• PubChem CID: 91005847
• Molecular Formula: C43H73NO4Si2
• Molecular Weight: 724.23 g/mol
• Exact Mass: 723.51
• IUPAC Name: 1-[4-[(7aR)-4-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-4-methylpent-2-enoyl]-N,N-dimethylcyclopropane-1-carboxamide
• SMILES: C=C1C(=CC=C2CCC[C@@]3(C)C2CCC3C(C)(C)C=CC(=O)C2(C(=O)N(C)C)CC2)CC(O[Si](C)(C)C(C)(C)C)CC1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C43H73NO4Si2/c1-30-32(28-33(47-49(13,14)39(2,3)4)29-35(30)48-50(15,16)40(5,6)7)20-19-31-18-17-24-42(10)34(31)21-22-36(42)41(8,9)25-23-37(45)43(26-27-43)38(46)44(11)12/h19-20,23,25,33-36H,1,17-18,21-22,24,26-29H2,2-16H3/t33?,34?,35?,36?,42-/m0/s1
• InChIKey: SZLXSMQIZAFIPQ-BAFIUCHISA-N
• XLogP: 11.21
• TPSA: 55.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.23
LogP ≤ 5	11.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(7aR)-4-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-4-methylpent-2-enoyl]-N,N-dimethylcyclopropane-1-carboxamide?

The IUPAC name of 1-[4-[(7aR)-4-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-4-methylpent-2-enoyl]-N,N-dimethylcyclopropane-1-carboxamide (CID 91005847) is 1-[4-[(7aR)-4-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-4-methylpent-2-enoyl]-N,N-dimethylcyclopropane-1-carboxamide.

What is the SMILES notation for 1-[4-[(7aR)-4-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-4-methylpent-2-enoyl]-N,N-dimethylcyclopropane-1-carboxamide?

The canonical SMILES for 1-[4-[(7aR)-4-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-4-methylpent-2-enoyl]-N,N-dimethylcyclopropane-1-carboxamide is C=C1C(=CC=C2CCC[C@@]3(C)C2CCC3C(C)(C)C=CC(=O)C2(C(=O)N(C)C)CC2)CC(O[Si](C)(C)C(C)(C)C)CC1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 1-[4-[(7aR)-4-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-4-methylpent-2-enoyl]-N,N-dimethylcyclopropane-1-carboxamide?

The InChIKey is SZLXSMQIZAFIPQ-BAFIUCHISA-N. The full InChI is InChI=1S/C43H73NO4Si2/c1-30-32(28-33(47-49(13,14)39(2,3)4)29-35(30)48-50(15,16)40(5,6)7)20-19-31-18-17-24-42(10)34(31)21-22-36(42)41(8,9)25-23-37(45)43(26-27-43)38(46)44(11)12/h19-20,23,25,33-36H,1,17-18,21-22,24,26-29H2,2-16H3/t33?,34?,35?,36?,42-/m0/s1.

What are the key properties of 1-[4-[(7aR)-4-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-4-methylpent-2-enoyl]-N,N-dimethylcyclopropane-1-carboxamide?

1-[4-[(7aR)-4-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-4-methylpent-2-enoyl]-N,N-dimethylcyclopropane-1-carboxamide has a molecular weight of 724.23 g/mol, XLogP of 11.21, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(7aR)-4-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-4-methylpent-2-enoyl]-N,N-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 91005847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).