2-[[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-dimethylsilyl]-5-ethenoxypentanoic acid

C19H36O6Si2 — CID 54175279

IUPAC2-[[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-dimethylsilyl]-5-ethenoxypentanoic acid
SMILESC=COCCCC(C(=O)O)[Si](C)(C)O[Si](C)(C)CCCCOC(=O)C(=C)C
InChIInChI=1S/C19H36O6Si2/c1-8-23-13-11-12-17(18(20)21)27(6,7)25-26(4,5)15-10-9-14-24-19(22)16(2)3/h8,17H,1-2,9-15H2,3-7H3,(H,20,21)
InChIKeyOXWIHSYZPNQHEZ-UHFFFAOYSA-N
MW416.66 g/mol
LogP4.71
Rot. Bonds15

About 2-[[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-dimethylsilyl]-5-ethenoxypentanoic acid

2-[[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-dimethylsilyl]-5-ethenoxypentanoic acid (PubChem CID 54175279) has the molecular formula C19H36O6Si2 and a molecular weight of 416.66 g/mol. Its IUPAC name is 2-[[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-dimethylsilyl]-5-ethenoxypentanoic acid.

Molecular Properties

Compound Name2-[[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-dimethylsilyl]-5-ethenoxypentanoic acid
PubChem CID54175279
Molecular FormulaC19H36O6Si2
Molecular Weight416.66 g/mol
Exact Mass416.21
IUPAC Name2-[[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-dimethylsilyl]-5-ethenoxypentanoic acid
SMILESC=COCCCC(C(=O)O)[Si](C)(C)O[Si](C)(C)CCCCOC(=O)C(=C)C
InChIInChI=1S/C19H36O6Si2/c1-8-23-13-11-12-17(18(20)21)27(6,7)25-26(4,5)15-10-9-14-24-19(22)16(2)3/h8,17H,1-2,9-15H2,3-7H3,(H,20,21)
InChIKeyOXWIHSYZPNQHEZ-UHFFFAOYSA-N
XLogP4.71
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.66
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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'}

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Related Compounds

1,4-bis(ethenoxy)butane;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 18006649
3-[[3-methoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 59651344
3-[[[[ethenyl(dimethyl)silyl]oxy-dimethylsilyl]methyl-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 140713622
11-[methoxy(dimethyl)silyl]undecyl 2-methylprop-2-enoate
CID 142567351
10-[methoxy(dimethyl)silyl]decyl 2-methylprop-2-enoate
CID 142567352
2-ethenoxyethyl 2-methylprop-2-enoate
CID 15105
3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 22094222
3-[[4-methoxybutyl-[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 158648892
3-[[dimethyl(2-trimethylsilylethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;tetramethylsilane
CID 157121683
3-[[[[[dimethyl(3-propanoyloxypropyl)silyl]oxy-dimethylsilyl]oxy-ethenyl-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 165004417
3-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 101031805
3-[[[bis[[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-dimethylsilyl]-trimethylsilyloxysilyl]-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 21242018

Frequently Asked Questions

What is the IUPAC name of 2-[[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-dimethylsilyl]-5-ethenoxypentanoic acid?
The IUPAC name of 2-[[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-dimethylsilyl]-5-ethenoxypentanoic acid (CID 54175279) is 2-[[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-dimethylsilyl]-5-ethenoxypentanoic acid.
What is the SMILES notation for 2-[[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-dimethylsilyl]-5-ethenoxypentanoic acid?
The canonical SMILES for 2-[[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-dimethylsilyl]-5-ethenoxypentanoic acid is C=COCCCC(C(=O)O)[Si](C)(C)O[Si](C)(C)CCCCOC(=O)C(=C)C.
What is the InChIKey of 2-[[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-dimethylsilyl]-5-ethenoxypentanoic acid?
The InChIKey is OXWIHSYZPNQHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O6Si2/c1-8-23-13-11-12-17(18(20)21)27(6,7)25-26(4,5)15-10-9-14-24-19(22)16(2)3/h8,17H,1-2,9-15H2,3-7H3,(H,20,21).
What are the key properties of 2-[[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-dimethylsilyl]-5-ethenoxypentanoic acid?
2-[[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-dimethylsilyl]-5-ethenoxypentanoic acid has a molecular weight of 416.66 g/mol, XLogP of 4.71, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]silyl]oxy-dimethylsilyl]-5-ethenoxypentanoic acid is sourced from PubChem (CID 54175279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).