11-(dichloromethylsilyl)undecyl 2-methylprop-2-enoate;11-trichlorosilylundecyl 2-methylprop-2-enoate

C31H57Cl5O4Si2 — CID 159008307

IUPAC11-(dichloromethylsilyl)undecyl 2-methylprop-2-enoate;11-trichlorosilylundecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCC[SiH2]C(Cl)Cl.C=C(C)C(=O)OCCCCCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C16H30Cl2O2Si.C15H27Cl3O2Si/c1-14(2)15(19)20-12-10-8-6-4-3-5-7-9-11-13-21-16(17)18;1-14(2)15(19)20-12-10-8-6-4-3-5-7-9-11-13-21(16,17)18/h16H,1,3-13,21H2,2H3;1,3-13H2,2H3
InChIKeyJSESYGQEMGSOKD-UHFFFAOYSA-N
MW727.23 g/mol
LogP11.24
Rot. Bonds27

About 11-(dichloromethylsilyl)undecyl 2-methylprop-2-enoate;11-trichlorosilylundecyl 2-methylprop-2-enoate

11-(dichloromethylsilyl)undecyl 2-methylprop-2-enoate;11-trichlorosilylundecyl 2-methylprop-2-enoate (PubChem CID 159008307) has the molecular formula C31H57Cl5O4Si2 and a molecular weight of 727.23 g/mol. Its IUPAC name is 11-(dichloromethylsilyl)undecyl 2-methylprop-2-enoate;11-trichlorosilylundecyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name11-(dichloromethylsilyl)undecyl 2-methylprop-2-enoate;11-trichlorosilylundecyl 2-methylprop-2-enoate
PubChem CID159008307
Molecular FormulaC31H57Cl5O4Si2
Molecular Weight727.23 g/mol
Exact Mass724.22
IUPAC Name11-(dichloromethylsilyl)undecyl 2-methylprop-2-enoate;11-trichlorosilylundecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCC[SiH2]C(Cl)Cl.C=C(C)C(=O)OCCCCCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C16H30Cl2O2Si.C15H27Cl3O2Si/c1-14(2)15(19)20-12-10-8-6-4-3-5-7-9-11-13-21-16(17)18;1-14(2)15(19)20-12-10-8-6-4-3-5-7-9-11-13-21(16,17)18/h16H,1,3-13,21H2,2H3;1,3-13H2,2H3
InChIKeyJSESYGQEMGSOKD-UHFFFAOYSA-N
XLogP11.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.23
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

7-(dichloromethylsilyl)heptyl 2-methylprop-2-enoate
CID 172804867
14-trichlorosilyltetradecyl 2-methylprop-2-enoate
CID 156681386
17-trichlorosilylheptadecyl 2-methylprop-2-enoate
CID 156681417
17-(diiodomethylsilyl)heptadecyl 2-methylprop-2-enoate
CID 172739962
4-[dichloro-[4-(2-methylprop-2-enoyloxy)butyl]silyl]butyl 2-methylprop-2-enoate
CID 139796033
18-triiodosilyloctadecyl 2-methylprop-2-enoate
CID 156681536
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
7-tribromosilylheptyl 2-methylprop-2-enoate
CID 156681371
20-trifluorosilylicosyl 2-methylprop-2-enoate
CID 156681437
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
8-[(2R)-2-chloropropanoyl]oxyoctyl 2-methylprop-2-enoate
CID 102275209
7-trichlorosilylheptyl acetate
CID 150460177

Frequently Asked Questions

What is the IUPAC name of 11-(dichloromethylsilyl)undecyl 2-methylprop-2-enoate;11-trichlorosilylundecyl 2-methylprop-2-enoate?
The IUPAC name of 11-(dichloromethylsilyl)undecyl 2-methylprop-2-enoate;11-trichlorosilylundecyl 2-methylprop-2-enoate (CID 159008307) is 11-(dichloromethylsilyl)undecyl 2-methylprop-2-enoate;11-trichlorosilylundecyl 2-methylprop-2-enoate.
What is the SMILES notation for 11-(dichloromethylsilyl)undecyl 2-methylprop-2-enoate;11-trichlorosilylundecyl 2-methylprop-2-enoate?
The canonical SMILES for 11-(dichloromethylsilyl)undecyl 2-methylprop-2-enoate;11-trichlorosilylundecyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCCCC[SiH2]C(Cl)Cl.C=C(C)C(=O)OCCCCCCCCCCC[Si](Cl)(Cl)Cl.
What is the InChIKey of 11-(dichloromethylsilyl)undecyl 2-methylprop-2-enoate;11-trichlorosilylundecyl 2-methylprop-2-enoate?
The InChIKey is JSESYGQEMGSOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30Cl2O2Si.C15H27Cl3O2Si/c1-14(2)15(19)20-12-10-8-6-4-3-5-7-9-11-13-21-16(17)18;1-14(2)15(19)20-12-10-8-6-4-3-5-7-9-11-13-21(16,17)18/h16H,1,3-13,21H2,2H3;1,3-13H2,2H3.
What are the key properties of 11-(dichloromethylsilyl)undecyl 2-methylprop-2-enoate;11-trichlorosilylundecyl 2-methylprop-2-enoate?
11-(dichloromethylsilyl)undecyl 2-methylprop-2-enoate;11-trichlorosilylundecyl 2-methylprop-2-enoate has a molecular weight of 727.23 g/mol, XLogP of 11.24, 27 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(dichloromethylsilyl)undecyl 2-methylprop-2-enoate;11-trichlorosilylundecyl 2-methylprop-2-enoate is sourced from PubChem (CID 159008307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).