4-trichlorosilylbutyl prop-2-enoate

C7H11Cl3O2Si — CID 54422038

IUPAC4-trichlorosilylbutyl prop-2-enoate
SMILESC=CC(=O)OCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C7H11Cl3O2Si/c1-2-7(11)12-5-3-4-6-13(8,9)10/h2H,1,3-6H2
InChIKeyWBMMKMZUYSAWBM-UHFFFAOYSA-N
MW261.61 g/mol
LogP3.15
Rot. Bonds6

About 4-trichlorosilylbutyl prop-2-enoate

4-trichlorosilylbutyl prop-2-enoate (PubChem CID 54422038) has the molecular formula C7H11Cl3O2Si and a molecular weight of 261.61 g/mol. Its IUPAC name is 4-trichlorosilylbutyl prop-2-enoate.

Molecular Properties

Compound Name4-trichlorosilylbutyl prop-2-enoate
PubChem CID54422038
Molecular FormulaC7H11Cl3O2Si
Molecular Weight261.61 g/mol
Exact Mass259.96
IUPAC Name4-trichlorosilylbutyl prop-2-enoate
SMILESC=CC(=O)OCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C7H11Cl3O2Si/c1-2-7(11)12-5-3-4-6-13(8,9)10/h2H,1,3-6H2
InChIKeyWBMMKMZUYSAWBM-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.61
LogP ≤ 53.15
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

2-(4-trichlorosilylbutoxy)ethyl prop-2-enoate
CID 178066722
5-[dichloro(methyl)silyl]pentyl prop-2-enoate
CID 171535330
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-trichlorosilylpropyl prop-2-enoate
CID 87857692
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
5-trifluorosilylpentyl prop-2-enoate
CID 156681471
5-tribromosilylpentyl prop-2-enoate
CID 156681433
3-[tris(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate
CID 140784915
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
7-trichlorosilylheptyl but-2-enoate
CID 174106010
13-trichlorosilyltridecyl but-2-enoate
CID 174106076
9-trichlorosilylnonyl but-2-enoate
CID 174105776

Frequently Asked Questions

What is the IUPAC name of 4-trichlorosilylbutyl prop-2-enoate?
The IUPAC name of 4-trichlorosilylbutyl prop-2-enoate (CID 54422038) is 4-trichlorosilylbutyl prop-2-enoate.
What is the SMILES notation for 4-trichlorosilylbutyl prop-2-enoate?
The canonical SMILES for 4-trichlorosilylbutyl prop-2-enoate is C=CC(=O)OCCCC[Si](Cl)(Cl)Cl.
What is the InChIKey of 4-trichlorosilylbutyl prop-2-enoate?
The InChIKey is WBMMKMZUYSAWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl3O2Si/c1-2-7(11)12-5-3-4-6-13(8,9)10/h2H,1,3-6H2.
What are the key properties of 4-trichlorosilylbutyl prop-2-enoate?
4-trichlorosilylbutyl prop-2-enoate has a molecular weight of 261.61 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trichlorosilylbutyl prop-2-enoate is sourced from PubChem (CID 54422038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).