12-[iodo(dimethyl)silyl]dodecyl 2-methylprop-2-enoate

C18H35IO2Si — CID 156681481

IUPAC12-[iodo(dimethyl)silyl]dodecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCC[Si](C)(C)I
InChIInChI=1S/C18H35IO2Si/c1-17(2)18(20)21-15-13-11-9-7-5-6-8-10-12-14-16-22(3,4)19/h1,5-16H2,2-4H3
InChIKeyVOEYDRXATXHFOM-UHFFFAOYSA-N
MW438.47 g/mol
LogP6.65
Rot. Bonds14

About 12-[iodo(dimethyl)silyl]dodecyl 2-methylprop-2-enoate

12-[iodo(dimethyl)silyl]dodecyl 2-methylprop-2-enoate (PubChem CID 156681481) has the molecular formula C18H35IO2Si and a molecular weight of 438.47 g/mol. Its IUPAC name is 12-[iodo(dimethyl)silyl]dodecyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name12-[iodo(dimethyl)silyl]dodecyl 2-methylprop-2-enoate
PubChem CID156681481
Molecular FormulaC18H35IO2Si
Molecular Weight438.47 g/mol
Exact Mass438.15
IUPAC Name12-[iodo(dimethyl)silyl]dodecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCC[Si](C)(C)I
InChIInChI=1S/C18H35IO2Si/c1-17(2)18(20)21-15-13-11-9-7-5-6-8-10-12-14-16-22(3,4)19/h1,5-16H2,2-4H3
InChIKeyVOEYDRXATXHFOM-UHFFFAOYSA-N
XLogP6.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.47
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-[iodo(dimethyl)silyl]decyl 2-methylprop-2-enoate
CID 156681385
14-[iodo(dimethyl)silyl]tetradecyl 2-methylprop-2-enoate
CID 156681283
18-triiodosilyloctadecyl 2-methylprop-2-enoate
CID 156681536
10-[methoxy(dimethyl)silyl]decyl 2-methylprop-2-enoate
CID 142567352
11-[methoxy(dimethyl)silyl]undecyl 2-methylprop-2-enoate
CID 142567351
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
17-trichlorosilylheptadecyl 2-methylprop-2-enoate
CID 156681417
20-trifluorosilylicosyl 2-methylprop-2-enoate
CID 156681437
7-tribromosilylheptyl 2-methylprop-2-enoate
CID 156681371
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
14-trichlorosilyltetradecyl 2-methylprop-2-enoate
CID 156681386
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382

Frequently Asked Questions

What is the IUPAC name of 12-[iodo(dimethyl)silyl]dodecyl 2-methylprop-2-enoate?
The IUPAC name of 12-[iodo(dimethyl)silyl]dodecyl 2-methylprop-2-enoate (CID 156681481) is 12-[iodo(dimethyl)silyl]dodecyl 2-methylprop-2-enoate.
What is the SMILES notation for 12-[iodo(dimethyl)silyl]dodecyl 2-methylprop-2-enoate?
The canonical SMILES for 12-[iodo(dimethyl)silyl]dodecyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCCCCC[Si](C)(C)I.
What is the InChIKey of 12-[iodo(dimethyl)silyl]dodecyl 2-methylprop-2-enoate?
The InChIKey is VOEYDRXATXHFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35IO2Si/c1-17(2)18(20)21-15-13-11-9-7-5-6-8-10-12-14-16-22(3,4)19/h1,5-16H2,2-4H3.
What are the key properties of 12-[iodo(dimethyl)silyl]dodecyl 2-methylprop-2-enoate?
12-[iodo(dimethyl)silyl]dodecyl 2-methylprop-2-enoate has a molecular weight of 438.47 g/mol, XLogP of 6.65, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[iodo(dimethyl)silyl]dodecyl 2-methylprop-2-enoate is sourced from PubChem (CID 156681481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).