3-(dichloromethylsilyl)propyl but-2-enoate

C8H14Cl2O2Si — CID 123765087

IUPAC3-(dichloromethylsilyl)propyl but-2-enoate
SMILESCC=CC(=O)OCCC[SiH2]C(Cl)Cl
InChIInChI=1S/C8H14Cl2O2Si/c1-2-4-7(11)12-5-3-6-13-8(9)10/h2,4,8H,3,5-6,13H2,1H3
InChIKeyFMZRFRQWIHQZSN-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.84
Rot. Bonds6

About 3-(dichloromethylsilyl)propyl but-2-enoate

3-(dichloromethylsilyl)propyl but-2-enoate (PubChem CID 123765087) has the molecular formula C8H14Cl2O2Si and a molecular weight of 241.19 g/mol. Its IUPAC name is 3-(dichloromethylsilyl)propyl but-2-enoate.

Molecular Properties

Compound Name3-(dichloromethylsilyl)propyl but-2-enoate
PubChem CID123765087
Molecular FormulaC8H14Cl2O2Si
Molecular Weight241.19 g/mol
Exact Mass240.01
IUPAC Name3-(dichloromethylsilyl)propyl but-2-enoate
SMILESCC=CC(=O)OCCC[SiH2]C(Cl)Cl
InChIInChI=1S/C8H14Cl2O2Si/c1-2-4-7(11)12-5-3-6-13-8(9)10/h2,4,8H,3,5-6,13H2,1H3
InChIKeyFMZRFRQWIHQZSN-UHFFFAOYSA-N
XLogP1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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

4-(difluoromethylsilyl)butyl but-2-enoate
CID 174105991
16-(difluoromethylsilyl)hexadecyl but-2-enoate
CID 174105855
4-(dichloromethylsilyl)butyl prop-2-enoate
CID 172852779
14-(dichloromethylsilyl)tetradecyl prop-2-enoate
CID 172698392
3-[bis[[ethenyl(dimethyl)silyl]oxy]methylsilyl]propyl but-2-enoate
CID 123266848
4-hydroxypentyl (E)-but-2-enoate
CID 88654107
dodecyl (E)-but-2-enoate
CID 5462914
3-[(E)-but-2-enoyl]oxypropyl 3-oxobutanoate
CID 21253649
3-methylbutyl (Z)-but-2-enoate
CID 93481892
3-but-2-enoyloxypropylphosphonous acid
CID 151118739
3-tri(propan-2-yl)silylpropyl but-2-enoate
CID 91430273
7-trichlorosilylheptyl but-2-enoate
CID 174106010

Frequently Asked Questions

What is the IUPAC name of 3-(dichloromethylsilyl)propyl but-2-enoate?
The IUPAC name of 3-(dichloromethylsilyl)propyl but-2-enoate (CID 123765087) is 3-(dichloromethylsilyl)propyl but-2-enoate.
What is the SMILES notation for 3-(dichloromethylsilyl)propyl but-2-enoate?
The canonical SMILES for 3-(dichloromethylsilyl)propyl but-2-enoate is CC=CC(=O)OCCC[SiH2]C(Cl)Cl.
What is the InChIKey of 3-(dichloromethylsilyl)propyl but-2-enoate?
The InChIKey is FMZRFRQWIHQZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Cl2O2Si/c1-2-4-7(11)12-5-3-6-13-8(9)10/h2,4,8H,3,5-6,13H2,1H3.
What are the key properties of 3-(dichloromethylsilyl)propyl but-2-enoate?
3-(dichloromethylsilyl)propyl but-2-enoate has a molecular weight of 241.19 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dichloromethylsilyl)propyl but-2-enoate is sourced from PubChem (CID 123765087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).