3-[11,17,23-tris[3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]propyl]-25,26,27,28-tetraheptoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,9,11,13(27),15(26),16,18,21(25),22-undecaenyl]propyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate

C108H178O16Si4 — CID 174022514

About 3-[11,17,23-tris[3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]propyl]-25,26,27,28-tetraheptoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,9,11,13(27),15(26),16,18,21(25),22-undecaenyl]propyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate

3-[11,17,23-tris[3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]propyl]-25,26,27,28-tetraheptoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,9,11,13(27),15(26),16,18,21(25),22-undecaenyl]propyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate (PubChem CID 174022514) has the molecular formula C108H178O16Si4 and a molecular weight of 1844.94 g/mol. Its IUPAC name is 3-[11,17,23-tris[3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]propyl]-25,26,27,28-tetraheptoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,9,11,13(27),15(26),16,18,21(25),22-undecaenyl]propyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate.

Molecular Properties

• Compound Name: 3-[11,17,23-tris[3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]propyl]-25,26,27,28-tetraheptoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,9,11,13(27),15(26),16,18,21(25),22-undecaenyl]propyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate
• PubChem CID: 174022514
• Molecular Formula: C108H178O16Si4
• Molecular Weight: 1844.94 g/mol
• Exact Mass: 1843.22
• IUPAC Name: 3-[11,17,23-tris[3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]propyl]-25,26,27,28-tetraheptoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,9,11,13(27),15(26),16,18,21(25),22-undecaenyl]propyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate
• SMILES: C=C(CO[Si](C)(C)C(C)(C)C)C(=O)OCCCC1=CC2Cc3cc(CCCOC(=O)C(=C)CO[Si](C)(C)C(C)(C)C)cc(c3OCCCCCCC)Cc3cc(CCCOC(=O)C(=C)CO[Si](C)(C)C(C)(C)C)cc(c3OCCCCCCC)Cc3cc(CCCOC(=O)C(=C)CO[Si](C)(C)C(C)(C)C)cc(c3OCCCCCCC)CC(=C1)C2OCCCCCCC
• InChI: InChI=1S/C108H178O16Si4/c1-29-33-37-41-45-57-113-97-89-65-85(53-49-61-117-101(109)81(5)77-121-125(21,22)105(9,10)11)66-90(97)74-92-68-87(55-51-63-119-103(111)83(7)79-123-127(25,26)107(15,16)17)70-94(99(92)115-59-47-43-39-35-31-3)76-96-72-88(56-52-64-120-104(112)84(8)80-124-128(27,28)108(18,19)20)71-95(100(96)116-60-48-44-40-36-32-4)75-93-69-86(67-91(73-89)98(93)114-58-46-42-38-34-30-2)54-50-62-118-102(110)82(6)78-122-126(23,24)106(12,13)14/h65-72,89,97H,5-8,29-64,73-80H2,1-4,9-28H3
• InChIKey: LXMBCOBAOLRULK-UHFFFAOYSA-N
• XLogP: 27.92
• TPSA: 179.04 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 60
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1844.94
LogP ≤ 5	27.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 3-[11,17,23-tris[3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]propyl]-25,26,27,28-tetraheptoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,9,11,13(27),15(26),16,18,21(25),22-undecaenyl]propyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate?

The IUPAC name of 3-[11,17,23-tris[3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]propyl]-25,26,27,28-tetraheptoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,9,11,13(27),15(26),16,18,21(25),22-undecaenyl]propyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate (CID 174022514) is 3-[11,17,23-tris[3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]propyl]-25,26,27,28-tetraheptoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,9,11,13(27),15(26),16,18,21(25),22-undecaenyl]propyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate.

What is the SMILES notation for 3-[11,17,23-tris[3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]propyl]-25,26,27,28-tetraheptoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,9,11,13(27),15(26),16,18,21(25),22-undecaenyl]propyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate?

The canonical SMILES for 3-[11,17,23-tris[3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]propyl]-25,26,27,28-tetraheptoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,9,11,13(27),15(26),16,18,21(25),22-undecaenyl]propyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate is C=C(CO[Si](C)(C)C(C)(C)C)C(=O)OCCCC1=CC2Cc3cc(CCCOC(=O)C(=C)CO[Si](C)(C)C(C)(C)C)cc(c3OCCCCCCC)Cc3cc(CCCOC(=O)C(=C)CO[Si](C)(C)C(C)(C)C)cc(c3OCCCCCCC)Cc3cc(CCCOC(=O)C(=C)CO[Si](C)(C)C(C)(C)C)cc(c3OCCCCCCC)CC(=C1)C2OCCCCCCC.

What is the InChIKey of 3-[11,17,23-tris[3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]propyl]-25,26,27,28-tetraheptoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,9,11,13(27),15(26),16,18,21(25),22-undecaenyl]propyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate?

The InChIKey is LXMBCOBAOLRULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H178O16Si4/c1-29-33-37-41-45-57-113-97-89-65-85(53-49-61-117-101(109)81(5)77-121-125(21,22)105(9,10)11)66-90(97)74-92-68-87(55-51-63-119-103(111)83(7)79-123-127(25,26)107(15,16)17)70-94(99(92)115-59-47-43-39-35-31-3)76-96-72-88(56-52-64-120-104(112)84(8)80-124-128(27,28)108(18,19)20)71-95(100(96)116-60-48-44-40-36-32-4)75-93-69-86(67-91(73-89)98(93)114-58-46-42-38-34-30-2)54-50-62-118-102(110)82(6)78-122-126(23,24)106(12,13)14/h65-72,89,97H,5-8,29-64,73-80H2,1-4,9-28H3.

What are the key properties of 3-[11,17,23-tris[3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]propyl]-25,26,27,28-tetraheptoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,9,11,13(27),15(26),16,18,21(25),22-undecaenyl]propyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate?

3-[11,17,23-tris[3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]propyl]-25,26,27,28-tetraheptoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,9,11,13(27),15(26),16,18,21(25),22-undecaenyl]propyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate has a molecular weight of 1844.94 g/mol, XLogP of 27.92, 60 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[11,17,23-tris[3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]propyl]-25,26,27,28-tetraheptoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,9,11,13(27),15(26),16,18,21(25),22-undecaenyl]propyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate is sourced from PubChem (CID 174022514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).