[1-(carbamoylamino)-3-[[[1-(carbamoylamino)-3-(2-methylprop-2-enoyloxy)pentan-3-yl]-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate

C32H70N4O11Si6 — CID 54339684

About [1-(carbamoylamino)-3-[[[1-(carbamoylamino)-3-(2-methylprop-2-enoyloxy)pentan-3-yl]-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate

[1-(carbamoylamino)-3-[[[1-(carbamoylamino)-3-(2-methylprop-2-enoyloxy)pentan-3-yl]-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate (PubChem CID 54339684) has the molecular formula C32H70N4O11Si6 and a molecular weight of 855.44 g/mol. Its IUPAC name is [1-(carbamoylamino)-3-[[[1-(carbamoylamino)-3-(2-methylprop-2-enoyloxy)pentan-3-yl]-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [1-(carbamoylamino)-3-[[[1-(carbamoylamino)-3-(2-methylprop-2-enoyloxy)pentan-3-yl]-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate
• PubChem CID: 54339684
• Molecular Formula: C32H70N4O11Si6
• Molecular Weight: 855.44 g/mol
• Exact Mass: 854.37
• IUPAC Name: [1-(carbamoylamino)-3-[[[1-(carbamoylamino)-3-(2-methylprop-2-enoyloxy)pentan-3-yl]-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC(CC)(CCNC(N)=O)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C(CC)(CCNC(N)=O)OC(=O)C(=C)C
• InChI: InChI=1S/C32H70N4O11Si6/c1-19-31(21-23-35-29(33)39,41-27(37)25(3)4)52(43-48(7,8)9,44-49(10,11)12)47-53(45-50(13,14)15,46-51(16,17)18)32(20-2,22-24-36-30(34)40)42-28(38)26(5)6/h3,5,19-24H2,1-2,4,6-18H3,(H3,33,35,39)(H3,34,36,40)
• InChIKey: TYANKPJXBSZPJC-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 208.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 24
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	855.44
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

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 [1-(carbamoylamino)-3-[[[1-(carbamoylamino)-3-(2-methylprop-2-enoyloxy)pentan-3-yl]-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate?

The IUPAC name of [1-(carbamoylamino)-3-[[[1-(carbamoylamino)-3-(2-methylprop-2-enoyloxy)pentan-3-yl]-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate (CID 54339684) is [1-(carbamoylamino)-3-[[[1-(carbamoylamino)-3-(2-methylprop-2-enoyloxy)pentan-3-yl]-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate.

What is the SMILES notation for [1-(carbamoylamino)-3-[[[1-(carbamoylamino)-3-(2-methylprop-2-enoyloxy)pentan-3-yl]-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate?

The canonical SMILES for [1-(carbamoylamino)-3-[[[1-(carbamoylamino)-3-(2-methylprop-2-enoyloxy)pentan-3-yl]-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(CC)(CCNC(N)=O)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C(CC)(CCNC(N)=O)OC(=O)C(=C)C.

What is the InChIKey of [1-(carbamoylamino)-3-[[[1-(carbamoylamino)-3-(2-methylprop-2-enoyloxy)pentan-3-yl]-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate?

The InChIKey is TYANKPJXBSZPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H70N4O11Si6/c1-19-31(21-23-35-29(33)39,41-27(37)25(3)4)52(43-48(7,8)9,44-49(10,11)12)47-53(45-50(13,14)15,46-51(16,17)18)32(20-2,22-24-36-30(34)40)42-28(38)26(5)6/h3,5,19-24H2,1-2,4,6-18H3,(H3,33,35,39)(H3,34,36,40).

What are the key properties of [1-(carbamoylamino)-3-[[[1-(carbamoylamino)-3-(2-methylprop-2-enoyloxy)pentan-3-yl]-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate?

[1-(carbamoylamino)-3-[[[1-(carbamoylamino)-3-(2-methylprop-2-enoyloxy)pentan-3-yl]-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate has a molecular weight of 855.44 g/mol, XLogP of 6.02, 24 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(carbamoylamino)-3-[[[1-(carbamoylamino)-3-(2-methylprop-2-enoyloxy)pentan-3-yl]-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 54339684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).