20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate

C25H49IO2Si — CID 168864209

IUPAC20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCCCCCCCCCCCCCCCCC[Si](C)(C)I
InChIInChI=1S/C25H49IO2Si/c1-5-25(27)28-24(2)22-20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-23-29(3,4)26/h5,24H,1,6-23H2,2-4H3
InChIKeyCMSOPNCSFMZOSF-UHFFFAOYSA-N
MW536.66 g/mol
LogP9.38
Rot. Bonds21

About 20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate

20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate (PubChem CID 168864209) has the molecular formula C25H49IO2Si and a molecular weight of 536.66 g/mol. Its IUPAC name is 20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate.

Molecular Properties

Compound Name20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate
PubChem CID168864209
Molecular FormulaC25H49IO2Si
Molecular Weight536.66 g/mol
Exact Mass536.25
IUPAC Name20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCCCCCCCCCCCCCCCCC[Si](C)(C)I
InChIInChI=1S/C25H49IO2Si/c1-5-25(27)28-24(2)22-20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-23-29(3,4)26/h5,24H,1,6-23H2,2-4H3
InChIKeyCMSOPNCSFMZOSF-UHFFFAOYSA-N
XLogP9.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.66
LogP ≤ 59.38
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

19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate
CID 168864259
15-triiodosilylpentadecan-2-yl prop-2-enoate
CID 168864274
6-triiodosilylhexan-2-yl prop-2-enoate
CID 168864108
21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate
CID 168864206
9-trihydroxysilylnonan-2-yl prop-2-enoate
CID 176894316
14-trichlorosilyltetradecan-2-yl prop-2-enoate
CID 168864094
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
6-triethoxysilylhexan-2-yl prop-2-enoate
CID 141250716
CID 168864126
CID 168864126
CID 168864112
CID 168864112
5-[diethoxy(methyl)silyl]pentan-2-yl prop-2-enoate
CID 141250825
5-methylhexan-2-yl prop-2-enoate
CID 151222941

Frequently Asked Questions

What is the IUPAC name of 20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate?
The IUPAC name of 20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate (CID 168864209) is 20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate.
What is the SMILES notation for 20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate?
The canonical SMILES for 20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate is C=CC(=O)OC(C)CCCCCCCCCCCCCCCCCC[Si](C)(C)I.
What is the InChIKey of 20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate?
The InChIKey is CMSOPNCSFMZOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49IO2Si/c1-5-25(27)28-24(2)22-20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-23-29(3,4)26/h5,24H,1,6-23H2,2-4H3.
What are the key properties of 20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate?
20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate has a molecular weight of 536.66 g/mol, XLogP of 9.38, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate is sourced from PubChem (CID 168864209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).