19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate

C24H47IO2Si — CID 168864259

IUPAC19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCCCCCCCCCCCCCCCC[Si](C)(C)I
InChIInChI=1S/C24H47IO2Si/c1-5-24(26)27-23(2)21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22-28(3,4)25/h5,23H,1,6-22H2,2-4H3
InChIKeyOMMSNTVJNLFFGV-UHFFFAOYSA-N
MW522.63 g/mol
LogP8.99
Rot. Bonds20

About 19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate

19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate (PubChem CID 168864259) has the molecular formula C24H47IO2Si and a molecular weight of 522.63 g/mol. Its IUPAC name is 19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate.

Molecular Properties

Compound Name19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate
PubChem CID168864259
Molecular FormulaC24H47IO2Si
Molecular Weight522.63 g/mol
Exact Mass522.24
IUPAC Name19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCCCCCCCCCCCCCCCC[Si](C)(C)I
InChIInChI=1S/C24H47IO2Si/c1-5-24(26)27-23(2)21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22-28(3,4)25/h5,23H,1,6-22H2,2-4H3
InChIKeyOMMSNTVJNLFFGV-UHFFFAOYSA-N
XLogP8.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.63
LogP ≤ 58.99
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

20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate
CID 168864209
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 19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate?
The IUPAC name of 19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate (CID 168864259) is 19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate.
What is the SMILES notation for 19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate?
The canonical SMILES for 19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate is C=CC(=O)OC(C)CCCCCCCCCCCCCCCCC[Si](C)(C)I.
What is the InChIKey of 19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate?
The InChIKey is OMMSNTVJNLFFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47IO2Si/c1-5-24(26)27-23(2)21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22-28(3,4)25/h5,23H,1,6-22H2,2-4H3.
What are the key properties of 19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate?
19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate has a molecular weight of 522.63 g/mol, XLogP of 8.99, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate is sourced from PubChem (CID 168864259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).