14-[iodo(dimethyl)silyl]tetradecyl 2-methylprop-2-enoate

C20H39IO2Si — CID 156681283

IUPAC14-[iodo(dimethyl)silyl]tetradecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCCCC[Si](C)(C)I
InChIInChI=1S/C20H39IO2Si/c1-19(2)20(22)23-17-15-13-11-9-7-5-6-8-10-12-14-16-18-24(3,4)21/h1,5-18H2,2-4H3
InChIKeyADPZROLGONAGRK-UHFFFAOYSA-N
MW466.52 g/mol
LogP7.43
Rot. Bonds16

About 14-[iodo(dimethyl)silyl]tetradecyl 2-methylprop-2-enoate

14-[iodo(dimethyl)silyl]tetradecyl 2-methylprop-2-enoate (PubChem CID 156681283) has the molecular formula C20H39IO2Si and a molecular weight of 466.52 g/mol. Its IUPAC name is 14-[iodo(dimethyl)silyl]tetradecyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name14-[iodo(dimethyl)silyl]tetradecyl 2-methylprop-2-enoate
PubChem CID156681283
Molecular FormulaC20H39IO2Si
Molecular Weight466.52 g/mol
Exact Mass466.18
IUPAC Name14-[iodo(dimethyl)silyl]tetradecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCCCC[Si](C)(C)I
InChIInChI=1S/C20H39IO2Si/c1-19(2)20(22)23-17-15-13-11-9-7-5-6-8-10-12-14-16-18-24(3,4)21/h1,5-18H2,2-4H3
InChIKeyADPZROLGONAGRK-UHFFFAOYSA-N
XLogP7.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.52
LogP ≤ 57.43
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

12-[iodo(dimethyl)silyl]dodecyl 2-methylprop-2-enoate
CID 156681481
10-[iodo(dimethyl)silyl]decyl 2-methylprop-2-enoate
CID 156681385
18-triiodosilyloctadecyl 2-methylprop-2-enoate
CID 156681536
11-[methoxy(dimethyl)silyl]undecyl 2-methylprop-2-enoate
CID 142567351
10-[methoxy(dimethyl)silyl]decyl 2-methylprop-2-enoate
CID 142567352
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
14-trichlorosilyltetradecyl 2-methylprop-2-enoate
CID 156681386
7-tribromosilylheptyl 2-methylprop-2-enoate
CID 156681371
17-trichlorosilylheptadecyl 2-methylprop-2-enoate
CID 156681417
20-trifluorosilylicosyl 2-methylprop-2-enoate
CID 156681437
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382

Frequently Asked Questions

What is the IUPAC name of 14-[iodo(dimethyl)silyl]tetradecyl 2-methylprop-2-enoate?
The IUPAC name of 14-[iodo(dimethyl)silyl]tetradecyl 2-methylprop-2-enoate (CID 156681283) is 14-[iodo(dimethyl)silyl]tetradecyl 2-methylprop-2-enoate.
What is the SMILES notation for 14-[iodo(dimethyl)silyl]tetradecyl 2-methylprop-2-enoate?
The canonical SMILES for 14-[iodo(dimethyl)silyl]tetradecyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCCCCCCC[Si](C)(C)I.
What is the InChIKey of 14-[iodo(dimethyl)silyl]tetradecyl 2-methylprop-2-enoate?
The InChIKey is ADPZROLGONAGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39IO2Si/c1-19(2)20(22)23-17-15-13-11-9-7-5-6-8-10-12-14-16-18-24(3,4)21/h1,5-18H2,2-4H3.
What are the key properties of 14-[iodo(dimethyl)silyl]tetradecyl 2-methylprop-2-enoate?
14-[iodo(dimethyl)silyl]tetradecyl 2-methylprop-2-enoate has a molecular weight of 466.52 g/mol, XLogP of 7.43, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[iodo(dimethyl)silyl]tetradecyl 2-methylprop-2-enoate is sourced from PubChem (CID 156681283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).