17-(diiodomethylsilyl)heptadecyl 2-methylprop-2-enoate

C22H42I2O2Si — CID 172739962

IUPAC17-(diiodomethylsilyl)heptadecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCCCCCCC[SiH2]C(I)I
InChIInChI=1S/C22H42I2O2Si/c1-20(2)21(25)26-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-27-22(23)24/h22H,1,3-19,27H2,2H3
InChIKeyIYRUDVAMCQKGMI-UHFFFAOYSA-N
MW620.47 g/mol
LogP7.70
Rot. Bonds20

About 17-(diiodomethylsilyl)heptadecyl 2-methylprop-2-enoate

17-(diiodomethylsilyl)heptadecyl 2-methylprop-2-enoate (PubChem CID 172739962) has the molecular formula C22H42I2O2Si and a molecular weight of 620.47 g/mol. Its IUPAC name is 17-(diiodomethylsilyl)heptadecyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name17-(diiodomethylsilyl)heptadecyl 2-methylprop-2-enoate
PubChem CID172739962
Molecular FormulaC22H42I2O2Si
Molecular Weight620.47 g/mol
Exact Mass620.10
IUPAC Name17-(diiodomethylsilyl)heptadecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCCCCCCC[SiH2]C(I)I
InChIInChI=1S/C22H42I2O2Si/c1-20(2)21(25)26-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-27-22(23)24/h22H,1,3-19,27H2,2H3
InChIKeyIYRUDVAMCQKGMI-UHFFFAOYSA-N
XLogP7.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.47
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-(dichloromethylsilyl)heptyl 2-methylprop-2-enoate
CID 172804867
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
11-(dichloromethylsilyl)undecyl 2-methylprop-2-enoate;11-trichlorosilylundecyl 2-methylprop-2-enoate
CID 159008307
5-(2,2-dimethoxyethylsilyl)pentyl 2-methylprop-2-enoate
CID 154399955
3-[3-(2-methylprop-2-enoyloxy)propylsilyl]propyl 2-methylprop-2-enoate
CID 175549235
octatetracontyl 2-methylprop-2-enoate
CID 141233444
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate
CID 176866150
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547

Frequently Asked Questions

What is the IUPAC name of 17-(diiodomethylsilyl)heptadecyl 2-methylprop-2-enoate?
The IUPAC name of 17-(diiodomethylsilyl)heptadecyl 2-methylprop-2-enoate (CID 172739962) is 17-(diiodomethylsilyl)heptadecyl 2-methylprop-2-enoate.
What is the SMILES notation for 17-(diiodomethylsilyl)heptadecyl 2-methylprop-2-enoate?
The canonical SMILES for 17-(diiodomethylsilyl)heptadecyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCCCCCCCCCC[SiH2]C(I)I.
What is the InChIKey of 17-(diiodomethylsilyl)heptadecyl 2-methylprop-2-enoate?
The InChIKey is IYRUDVAMCQKGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42I2O2Si/c1-20(2)21(25)26-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-27-22(23)24/h22H,1,3-19,27H2,2H3.
What are the key properties of 17-(diiodomethylsilyl)heptadecyl 2-methylprop-2-enoate?
17-(diiodomethylsilyl)heptadecyl 2-methylprop-2-enoate has a molecular weight of 620.47 g/mol, XLogP of 7.70, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(diiodomethylsilyl)heptadecyl 2-methylprop-2-enoate is sourced from PubChem (CID 172739962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).