4-(dichloromethylsilyl)butyl prop-2-enoate

C8H14Cl2O2Si — CID 172852779

IUPAC4-(dichloromethylsilyl)butyl prop-2-enoate
SMILESC=CC(=O)OCCCC[SiH2]C(Cl)Cl
InChIInChI=1S/C8H14Cl2O2Si/c1-2-7(11)12-5-3-4-6-13-8(9)10/h2,8H,1,3-6,13H2
InChIKeyYHEHWCAWENORIL-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.84
Rot. Bonds7

About 4-(dichloromethylsilyl)butyl prop-2-enoate

4-(dichloromethylsilyl)butyl prop-2-enoate (PubChem CID 172852779) has the molecular formula C8H14Cl2O2Si and a molecular weight of 241.19 g/mol. Its IUPAC name is 4-(dichloromethylsilyl)butyl prop-2-enoate.

Molecular Properties

Compound Name4-(dichloromethylsilyl)butyl prop-2-enoate
PubChem CID172852779
Molecular FormulaC8H14Cl2O2Si
Molecular Weight241.19 g/mol
Exact Mass240.01
IUPAC Name4-(dichloromethylsilyl)butyl prop-2-enoate
SMILESC=CC(=O)OCCCC[SiH2]C(Cl)Cl
InChIInChI=1S/C8H14Cl2O2Si/c1-2-7(11)12-5-3-4-6-13-8(9)10/h2,8H,1,3-6,13H2
InChIKeyYHEHWCAWENORIL-UHFFFAOYSA-N
XLogP1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.84
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

14-(dichloromethylsilyl)tetradecyl prop-2-enoate
CID 172698392
13-chlorosilyltridecyl prop-2-enoate
CID 175525518
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
3-(dichloromethylsilyl)propyl but-2-enoate
CID 123765087
4-[1,2,2-tris(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 134465338
7-(dichloromethylsilyl)heptyl 2-methylprop-2-enoate
CID 172804867
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
6-methoxysilylhexyl prop-2-enoate
CID 150247885
CID 156681244
CID 156681244
17-(trifluoromethylsilyl)heptadecyl prop-2-enoate
CID 175896025
5-(2,2-dimethoxyethylsilyl)pentyl prop-2-enoate
CID 154270296

Frequently Asked Questions

What is the IUPAC name of 4-(dichloromethylsilyl)butyl prop-2-enoate?
The IUPAC name of 4-(dichloromethylsilyl)butyl prop-2-enoate (CID 172852779) is 4-(dichloromethylsilyl)butyl prop-2-enoate.
What is the SMILES notation for 4-(dichloromethylsilyl)butyl prop-2-enoate?
The canonical SMILES for 4-(dichloromethylsilyl)butyl prop-2-enoate is C=CC(=O)OCCCC[SiH2]C(Cl)Cl.
What is the InChIKey of 4-(dichloromethylsilyl)butyl prop-2-enoate?
The InChIKey is YHEHWCAWENORIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Cl2O2Si/c1-2-7(11)12-5-3-4-6-13-8(9)10/h2,8H,1,3-6,13H2.
What are the key properties of 4-(dichloromethylsilyl)butyl prop-2-enoate?
4-(dichloromethylsilyl)butyl prop-2-enoate has a molecular weight of 241.19 g/mol, XLogP of 1.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dichloromethylsilyl)butyl prop-2-enoate is sourced from PubChem (CID 172852779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).