3-[3-[[[dimethyl-(6-methyl-5-oxohept-6-enyl)silyl]oxy-dimethylsilyl]oxy-[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-methylsilyl]propoxy-hydroxyphosphoryl]oxypropyl-trimethylazanium

C32H69NO10PSi4+ — CID 165027696

IUPAC3-[3-[[[dimethyl-(6-methyl-5-oxohept-6-enyl)silyl]oxy-dimethylsilyl]oxy-[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-methylsilyl]propoxy-hydroxyphosphoryl]oxypropyl-trimethylazanium
SMILESC=C(C)C(=O)CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCOP(=O)(O)OCCC[N+](C)(C)C)O[Si](C)(C)CCCCOC(=O)C(=C)C
InChIInChI=1S/C32H68NO10PSi4/c1-29(2)31(34)21-15-17-26-45(8,9)41-47(12,13)43-48(14,42-46(10,11)27-18-16-23-38-32(35)30(3)4)28-20-25-40-44(36,37)39-24-19-22-33(5,6)7/h1,3,15-28H2,2,4-14H3/p+1
InChIKeyMDOVIHOJDIPYKP-UHFFFAOYSA-O
MW771.22 g/mol
LogP8.06
Rot. Bonds28

About 3-[3-[[[dimethyl-(6-methyl-5-oxohept-6-enyl)silyl]oxy-dimethylsilyl]oxy-[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-methylsilyl]propoxy-hydroxyphosphoryl]oxypropyl-trimethylazanium

3-[3-[[[dimethyl-(6-methyl-5-oxohept-6-enyl)silyl]oxy-dimethylsilyl]oxy-[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-methylsilyl]propoxy-hydroxyphosphoryl]oxypropyl-trimethylazanium (PubChem CID 165027696) has the molecular formula C32H69NO10PSi4+ and a molecular weight of 771.22 g/mol. Its IUPAC name is 3-[3-[[[dimethyl-(6-methyl-5-oxohept-6-enyl)silyl]oxy-dimethylsilyl]oxy-[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-methylsilyl]propoxy-hydroxyphosphoryl]oxypropyl-trimethylazanium.

Molecular Properties

Compound Name3-[3-[[[dimethyl-(6-methyl-5-oxohept-6-enyl)silyl]oxy-dimethylsilyl]oxy-[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-methylsilyl]propoxy-hydroxyphosphoryl]oxypropyl-trimethylazanium
PubChem CID165027696
Molecular FormulaC32H69NO10PSi4+
Molecular Weight771.22 g/mol
Exact Mass770.37
IUPAC Name3-[3-[[[dimethyl-(6-methyl-5-oxohept-6-enyl)silyl]oxy-dimethylsilyl]oxy-[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-methylsilyl]propoxy-hydroxyphosphoryl]oxypropyl-trimethylazanium
SMILESC=C(C)C(=O)CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCOP(=O)(O)OCCC[N+](C)(C)C)O[Si](C)(C)CCCCOC(=O)C(=C)C
InChIInChI=1S/C32H68NO10PSi4/c1-29(2)31(34)21-15-17-26-45(8,9)41-47(12,13)43-48(14,42-46(10,11)27-18-16-23-38-32(35)30(3)4)28-20-25-40-44(36,37)39-24-19-22-33(5,6)7/h1,3,15-28H2,2,4-14H3/p+1
InChIKeyMDOVIHOJDIPYKP-UHFFFAOYSA-O
XLogP8.06
TPSA126.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds28
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.22
LogP ≤ 58.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 3-[3-[[[dimethyl-(6-methyl-5-oxohept-6-enyl)silyl]oxy-dimethylsilyl]oxy-[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-methylsilyl]propoxy-hydroxyphosphoryl]oxypropyl-trimethylazanium with MolForge

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Related Compounds

2-[hydroxy-[5-(2-methylprop-2-enoyloxy)pentoxy]phosphoryl]oxyethyl-trimethylazanium
CID 19378254
3-[[4-methoxybutyl-[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 158648892
2-[3-[bis[[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]silyl]oxy]-methylsilyl]propoxy]ethyl-trimethylazanium
CID 58901099
4-(2-methylprop-2-enoyloxy)butyl 4-(trimethylazaniumyl)butyl phosphate
CID 87219325
3-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 101031805
3-[bis[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl 2-methylprop-2-enoate
CID 18739209
triethyl-[3-[hydroxy-[4-(2-methylprop-2-enoyloxy)butoxy]phosphoryl]oxypropyl]azanium
CID 87835424
3-[[[[dimethyl-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-(5-hydroxypentyl)-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;3-hydroxypropyl 2-methylprop-2-enoate;propan-1-ol
CID 161268603
6-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-[[dimethyl-(3-methyl-2-oxobut-3-enyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]-2-methylhex-1-en-3-one
CID 59689314
3-[[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 164811987
carbon dioxide;3-[[[dimethyl(4-methylpent-4-enyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 158834498
3-[[[[acetyloxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 11826747

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[[dimethyl-(6-methyl-5-oxohept-6-enyl)silyl]oxy-dimethylsilyl]oxy-[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-methylsilyl]propoxy-hydroxyphosphoryl]oxypropyl-trimethylazanium?
The IUPAC name of 3-[3-[[[dimethyl-(6-methyl-5-oxohept-6-enyl)silyl]oxy-dimethylsilyl]oxy-[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-methylsilyl]propoxy-hydroxyphosphoryl]oxypropyl-trimethylazanium (CID 165027696) is 3-[3-[[[dimethyl-(6-methyl-5-oxohept-6-enyl)silyl]oxy-dimethylsilyl]oxy-[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-methylsilyl]propoxy-hydroxyphosphoryl]oxypropyl-trimethylazanium.
What is the SMILES notation for 3-[3-[[[dimethyl-(6-methyl-5-oxohept-6-enyl)silyl]oxy-dimethylsilyl]oxy-[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-methylsilyl]propoxy-hydroxyphosphoryl]oxypropyl-trimethylazanium?
The canonical SMILES for 3-[3-[[[dimethyl-(6-methyl-5-oxohept-6-enyl)silyl]oxy-dimethylsilyl]oxy-[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-methylsilyl]propoxy-hydroxyphosphoryl]oxypropyl-trimethylazanium is C=C(C)C(=O)CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCOP(=O)(O)OCCC[N+](C)(C)C)O[Si](C)(C)CCCCOC(=O)C(=C)C.
What is the InChIKey of 3-[3-[[[dimethyl-(6-methyl-5-oxohept-6-enyl)silyl]oxy-dimethylsilyl]oxy-[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-methylsilyl]propoxy-hydroxyphosphoryl]oxypropyl-trimethylazanium?
The InChIKey is MDOVIHOJDIPYKP-UHFFFAOYSA-O. The full InChI is InChI=1S/C32H68NO10PSi4/c1-29(2)31(34)21-15-17-26-45(8,9)41-47(12,13)43-48(14,42-46(10,11)27-18-16-23-38-32(35)30(3)4)28-20-25-40-44(36,37)39-24-19-22-33(5,6)7/h1,3,15-28H2,2,4-14H3/p+1.
What are the key properties of 3-[3-[[[dimethyl-(6-methyl-5-oxohept-6-enyl)silyl]oxy-dimethylsilyl]oxy-[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-methylsilyl]propoxy-hydroxyphosphoryl]oxypropyl-trimethylazanium?
3-[3-[[[dimethyl-(6-methyl-5-oxohept-6-enyl)silyl]oxy-dimethylsilyl]oxy-[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-methylsilyl]propoxy-hydroxyphosphoryl]oxypropyl-trimethylazanium has a molecular weight of 771.22 g/mol, XLogP of 8.06, 28 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[[dimethyl-(6-methyl-5-oxohept-6-enyl)silyl]oxy-dimethylsilyl]oxy-[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-methylsilyl]propoxy-hydroxyphosphoryl]oxypropyl-trimethylazanium is sourced from PubChem (CID 165027696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).