methane;2-[[5,11,17,23-tetrabutyl-26,27,28-tris[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate

C93H148O16Si4 — CID 167634067

About methane;2-[[5,11,17,23-tetrabutyl-26,27,28-tris[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate

methane;2-[[5,11,17,23-tetrabutyl-26,27,28-tris[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate (PubChem CID 167634067) has the molecular formula C93H148O16Si4 and a molecular weight of 1634.53 g/mol. Its IUPAC name is methane;2-[[5,11,17,23-tetrabutyl-26,27,28-tris[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate.

Molecular Properties

• Compound Name: methane;2-[[5,11,17,23-tetrabutyl-26,27,28-tris[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate
• PubChem CID: 167634067
• Molecular Formula: C93H148O16Si4
• Molecular Weight: 1634.53 g/mol
• Exact Mass: 1632.98
• IUPAC Name: methane;2-[[5,11,17,23-tetrabutyl-26,27,28-tris[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate
• SMILES: C.C=C(CO[Si](C)(C)C(C)(C)C)C(=O)OCCOc1c2cc(CCCC)cc1Cc1cc(CCCC)cc(c1OCCOC(=O)C(=C)CO[Si](C)(C)C(C)(C)C)Cc1cc(CCCC)cc(c1OCCOC(=O)C(=C)CO[Si](C)(C)C(C)(C)C)Cc1cc(CCCC)cc(c1OCCOC(=O)C(=C)CO[Si](C)(C)C(C)(C)C)C2
• InChI: InChI=1S/C92H144O16Si4.CH4/c1-29-33-37-69-49-73-57-75-51-70(38-34-30-2)53-77(82(75)98-42-46-102-86(94)66(6)62-106-110(23,24)90(12,13)14)59-79-55-72(40-36-32-4)56-80(84(79)100-44-48-104-88(96)68(8)64-108-112(27,28)92(18,19)20)60-78-54-71(39-35-31-3)52-76(83(78)99-43-47-103-87(95)67(7)63-107-111(25,26)91(15,16)17)58-74(50-69)81(73)97-41-45-101-85(93)65(5)61-105-109(21,22)89(9,10)11;/h49-56H,5-8,29-48,57-64H2,1-4,9-28H3;1H4
• InChIKey: OFGYUXQTCJVHLG-UHFFFAOYSA-N
• XLogP: 22.37
• TPSA: 179.04 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 44
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1634.53
LogP ≤ 5	22.37
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 methane;2-[[5,11,17,23-tetrabutyl-26,27,28-tris[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate?

The IUPAC name of methane;2-[[5,11,17,23-tetrabutyl-26,27,28-tris[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate (CID 167634067) is methane;2-[[5,11,17,23-tetrabutyl-26,27,28-tris[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate.

What is the SMILES notation for methane;2-[[5,11,17,23-tetrabutyl-26,27,28-tris[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate?

The canonical SMILES for methane;2-[[5,11,17,23-tetrabutyl-26,27,28-tris[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate is C.C=C(CO[Si](C)(C)C(C)(C)C)C(=O)OCCOc1c2cc(CCCC)cc1Cc1cc(CCCC)cc(c1OCCOC(=O)C(=C)CO[Si](C)(C)C(C)(C)C)Cc1cc(CCCC)cc(c1OCCOC(=O)C(=C)CO[Si](C)(C)C(C)(C)C)Cc1cc(CCCC)cc(c1OCCOC(=O)C(=C)CO[Si](C)(C)C(C)(C)C)C2.

What is the InChIKey of methane;2-[[5,11,17,23-tetrabutyl-26,27,28-tris[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate?

The InChIKey is OFGYUXQTCJVHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H144O16Si4.CH4/c1-29-33-37-69-49-73-57-75-51-70(38-34-30-2)53-77(82(75)98-42-46-102-86(94)66(6)62-106-110(23,24)90(12,13)14)59-79-55-72(40-36-32-4)56-80(84(79)100-44-48-104-88(96)68(8)64-108-112(27,28)92(18,19)20)60-78-54-71(39-35-31-3)52-76(83(78)99-43-47-103-87(95)67(7)63-107-111(25,26)91(15,16)17)58-74(50-69)81(73)97-41-45-101-85(93)65(5)61-105-109(21,22)89(9,10)11;/h49-56H,5-8,29-48,57-64H2,1-4,9-28H3;1H4.

What are the key properties of methane;2-[[5,11,17,23-tetrabutyl-26,27,28-tris[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate?

methane;2-[[5,11,17,23-tetrabutyl-26,27,28-tris[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate has a molecular weight of 1634.53 g/mol, XLogP of 22.37, 44 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-[[5,11,17,23-tetrabutyl-26,27,28-tris[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate is sourced from PubChem (CID 167634067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).