4-trichlorosilylbutan-2-yl prop-2-enoate

C7H11Cl3O2Si — CID 141005988

IUPAC4-trichlorosilylbutan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CC[Si](Cl)(Cl)Cl
InChIInChI=1S/C7H11Cl3O2Si/c1-3-7(11)12-6(2)4-5-13(8,9)10/h3,6H,1,4-5H2,2H3
InChIKeyNEQQTGISUHTOAE-UHFFFAOYSA-N
MW261.61 g/mol
LogP3.15
Rot. Bonds5

About 4-trichlorosilylbutan-2-yl prop-2-enoate

4-trichlorosilylbutan-2-yl prop-2-enoate (PubChem CID 141005988) has the molecular formula C7H11Cl3O2Si and a molecular weight of 261.61 g/mol. Its IUPAC name is 4-trichlorosilylbutan-2-yl prop-2-enoate.

Molecular Properties

Compound Name4-trichlorosilylbutan-2-yl prop-2-enoate
PubChem CID141005988
Molecular FormulaC7H11Cl3O2Si
Molecular Weight261.61 g/mol
Exact Mass259.96
IUPAC Name4-trichlorosilylbutan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CC[Si](Cl)(Cl)Cl
InChIInChI=1S/C7H11Cl3O2Si/c1-3-7(11)12-6(2)4-5-13(8,9)10/h3,6H,1,4-5H2,2H3
InChIKeyNEQQTGISUHTOAE-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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': '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

4-[dichloro(methyl)silyl]butan-2-yl prop-2-enoate
CID 159860704
14-trichlorosilyltetradecan-2-yl prop-2-enoate
CID 168864094
[(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate
CID 141155203
21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate
CID 168864206
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
5-methylhexan-2-yl prop-2-enoate
CID 151222941
6-triiodosilylhexan-2-yl prop-2-enoate
CID 168864108
15-triiodosilylpentadecan-2-yl prop-2-enoate
CID 168864274
9-trihydroxysilylnonan-2-yl prop-2-enoate
CID 176894316
4-[methyl(dipropoxy)silyl]butan-2-yl prop-2-enoate
CID 174739183
4-prop-2-enoyloxypentanoic acid
CID 87568780
5-oxohept-6-en-2-yl prop-2-enoate
CID 23534043

Frequently Asked Questions

What is the IUPAC name of 4-trichlorosilylbutan-2-yl prop-2-enoate?
The IUPAC name of 4-trichlorosilylbutan-2-yl prop-2-enoate (CID 141005988) is 4-trichlorosilylbutan-2-yl prop-2-enoate.
What is the SMILES notation for 4-trichlorosilylbutan-2-yl prop-2-enoate?
The canonical SMILES for 4-trichlorosilylbutan-2-yl prop-2-enoate is C=CC(=O)OC(C)CC[Si](Cl)(Cl)Cl.
What is the InChIKey of 4-trichlorosilylbutan-2-yl prop-2-enoate?
The InChIKey is NEQQTGISUHTOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl3O2Si/c1-3-7(11)12-6(2)4-5-13(8,9)10/h3,6H,1,4-5H2,2H3.
What are the key properties of 4-trichlorosilylbutan-2-yl prop-2-enoate?
4-trichlorosilylbutan-2-yl prop-2-enoate has a molecular weight of 261.61 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trichlorosilylbutan-2-yl prop-2-enoate is sourced from PubChem (CID 141005988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).