18-triiodosilyloctadecyl 2-methylprop-2-enoate

C22H41I3O2Si — CID 156681536

IUPAC18-triiodosilyloctadecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCCCCCCCC[Si](I)(I)I
InChIInChI=1S/C22H41I3O2Si/c1-21(2)22(26)27-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-28(23,24)25/h1,3-20H2,2H3
InChIKeyIVTBIOMFZFYSPS-UHFFFAOYSA-N
MW746.37 g/mol
LogP9.59
Rot. Bonds20

About 18-triiodosilyloctadecyl 2-methylprop-2-enoate

18-triiodosilyloctadecyl 2-methylprop-2-enoate (PubChem CID 156681536) has the molecular formula C22H41I3O2Si and a molecular weight of 746.37 g/mol. Its IUPAC name is 18-triiodosilyloctadecyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name18-triiodosilyloctadecyl 2-methylprop-2-enoate
PubChem CID156681536
Molecular FormulaC22H41I3O2Si
Molecular Weight746.37 g/mol
Exact Mass746.00
IUPAC Name18-triiodosilyloctadecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCCCCCCCC[Si](I)(I)I
InChIInChI=1S/C22H41I3O2Si/c1-21(2)22(26)27-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-28(23,24)25/h1,3-20H2,2H3
InChIKeyIVTBIOMFZFYSPS-UHFFFAOYSA-N
XLogP9.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.37
LogP ≤ 59.59
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'}

Analyze 18-triiodosilyloctadecyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-[iodo(dimethyl)silyl]dodecyl 2-methylprop-2-enoate
CID 156681481
10-[iodo(dimethyl)silyl]decyl 2-methylprop-2-enoate
CID 156681385
14-[iodo(dimethyl)silyl]tetradecyl 2-methylprop-2-enoate
CID 156681283
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
14-trichlorosilyltetradecyl 2-methylprop-2-enoate
CID 156681386
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
4-tribromosilylbutyl 2-methylprop-2-enoate
CID 156681575
4-[dichloro-[4-(2-methylprop-2-enoyloxy)butyl]silyl]butyl 2-methylprop-2-enoate
CID 139796033

Frequently Asked Questions

What is the IUPAC name of 18-triiodosilyloctadecyl 2-methylprop-2-enoate?
The IUPAC name of 18-triiodosilyloctadecyl 2-methylprop-2-enoate (CID 156681536) is 18-triiodosilyloctadecyl 2-methylprop-2-enoate.
What is the SMILES notation for 18-triiodosilyloctadecyl 2-methylprop-2-enoate?
The canonical SMILES for 18-triiodosilyloctadecyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC[Si](I)(I)I.
What is the InChIKey of 18-triiodosilyloctadecyl 2-methylprop-2-enoate?
The InChIKey is IVTBIOMFZFYSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41I3O2Si/c1-21(2)22(26)27-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-28(23,24)25/h1,3-20H2,2H3.
What are the key properties of 18-triiodosilyloctadecyl 2-methylprop-2-enoate?
18-triiodosilyloctadecyl 2-methylprop-2-enoate has a molecular weight of 746.37 g/mol, XLogP of 9.59, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-triiodosilyloctadecyl 2-methylprop-2-enoate is sourced from PubChem (CID 156681536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).