15-triiodosilylpentadecan-2-yl prop-2-enoate

C18H33I3O2Si — CID 168864274

IUPAC15-triiodosilylpentadecan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCCCCCCCCCCCC[Si](I)(I)I
InChIInChI=1S/C18H33I3O2Si/c1-3-18(22)23-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-24(19,20)21/h3,17H,1,4-16H2,2H3
InChIKeyDNVDAUIDNNERHD-UHFFFAOYSA-N
MW690.26 g/mol
LogP8.03
Rot. Bonds16

About 15-triiodosilylpentadecan-2-yl prop-2-enoate

15-triiodosilylpentadecan-2-yl prop-2-enoate (PubChem CID 168864274) has the molecular formula C18H33I3O2Si and a molecular weight of 690.26 g/mol. Its IUPAC name is 15-triiodosilylpentadecan-2-yl prop-2-enoate.

Molecular Properties

Compound Name15-triiodosilylpentadecan-2-yl prop-2-enoate
PubChem CID168864274
Molecular FormulaC18H33I3O2Si
Molecular Weight690.26 g/mol
Exact Mass689.94
IUPAC Name15-triiodosilylpentadecan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCCCCCCCCCCCC[Si](I)(I)I
InChIInChI=1S/C18H33I3O2Si/c1-3-18(22)23-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-24(19,20)21/h3,17H,1,4-16H2,2H3
InChIKeyDNVDAUIDNNERHD-UHFFFAOYSA-N
XLogP8.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.26
LogP ≤ 58.03
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

6-triiodosilylhexan-2-yl prop-2-enoate
CID 168864108
20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate
CID 168864209
19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate
CID 168864259
9-trihydroxysilylnonan-2-yl prop-2-enoate
CID 176894316
14-trichlorosilyltetradecan-2-yl prop-2-enoate
CID 168864094
21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate
CID 168864206
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-methylhexan-2-yl prop-2-enoate
CID 151222941
3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate
CID 162239045

Frequently Asked Questions

What is the IUPAC name of 15-triiodosilylpentadecan-2-yl prop-2-enoate?
The IUPAC name of 15-triiodosilylpentadecan-2-yl prop-2-enoate (CID 168864274) is 15-triiodosilylpentadecan-2-yl prop-2-enoate.
What is the SMILES notation for 15-triiodosilylpentadecan-2-yl prop-2-enoate?
The canonical SMILES for 15-triiodosilylpentadecan-2-yl prop-2-enoate is C=CC(=O)OC(C)CCCCCCCCCCCCC[Si](I)(I)I.
What is the InChIKey of 15-triiodosilylpentadecan-2-yl prop-2-enoate?
The InChIKey is DNVDAUIDNNERHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33I3O2Si/c1-3-18(22)23-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-24(19,20)21/h3,17H,1,4-16H2,2H3.
What are the key properties of 15-triiodosilylpentadecan-2-yl prop-2-enoate?
15-triiodosilylpentadecan-2-yl prop-2-enoate has a molecular weight of 690.26 g/mol, XLogP of 8.03, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-triiodosilylpentadecan-2-yl prop-2-enoate is sourced from PubChem (CID 168864274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).