6-triiodosilylhexan-2-yl prop-2-enoate

C9H15I3O2Si — CID 168864108

IUPAC6-triiodosilylhexan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCCC[Si](I)(I)I
InChIInChI=1S/C9H15I3O2Si/c1-3-9(13)14-8(2)6-4-5-7-15(10,11)12/h3,8H,1,4-7H2,2H3
InChIKeyKGNDOVAQHQKQAT-UHFFFAOYSA-N
MW564.02 g/mol
LogP4.52
Rot. Bonds7

About 6-triiodosilylhexan-2-yl prop-2-enoate

6-triiodosilylhexan-2-yl prop-2-enoate (PubChem CID 168864108) has the molecular formula C9H15I3O2Si and a molecular weight of 564.02 g/mol. Its IUPAC name is 6-triiodosilylhexan-2-yl prop-2-enoate.

Molecular Properties

Compound Name6-triiodosilylhexan-2-yl prop-2-enoate
PubChem CID168864108
Molecular FormulaC9H15I3O2Si
Molecular Weight564.02 g/mol
Exact Mass563.80
IUPAC Name6-triiodosilylhexan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCCC[Si](I)(I)I
InChIInChI=1S/C9H15I3O2Si/c1-3-9(13)14-8(2)6-4-5-7-15(10,11)12/h3,8H,1,4-7H2,2H3
InChIKeyKGNDOVAQHQKQAT-UHFFFAOYSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.02
LogP ≤ 54.52
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

15-triiodosilylpentadecan-2-yl prop-2-enoate
CID 168864274
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
21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate
CID 168864206
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 168864112
CID 168864112
CID 168864126
CID 168864126
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 6-triiodosilylhexan-2-yl prop-2-enoate?
The IUPAC name of 6-triiodosilylhexan-2-yl prop-2-enoate (CID 168864108) is 6-triiodosilylhexan-2-yl prop-2-enoate.
What is the SMILES notation for 6-triiodosilylhexan-2-yl prop-2-enoate?
The canonical SMILES for 6-triiodosilylhexan-2-yl prop-2-enoate is C=CC(=O)OC(C)CCCC[Si](I)(I)I.
What is the InChIKey of 6-triiodosilylhexan-2-yl prop-2-enoate?
The InChIKey is KGNDOVAQHQKQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15I3O2Si/c1-3-9(13)14-8(2)6-4-5-7-15(10,11)12/h3,8H,1,4-7H2,2H3.
What are the key properties of 6-triiodosilylhexan-2-yl prop-2-enoate?
6-triiodosilylhexan-2-yl prop-2-enoate has a molecular weight of 564.02 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-triiodosilylhexan-2-yl prop-2-enoate is sourced from PubChem (CID 168864108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).