ethyl 8-chloro-5-[dimethyl(phenyl)silyl]octa-3,4-dienoate

C18H25ClO2Si — CID 164686274

IUPACethyl 8-chloro-5-[dimethyl(phenyl)silyl]octa-3,4-dienoate
SMILESCCOC(=O)CC=C=C(CCCCl)[Si](C)(C)c1ccccc1
InChIInChI=1S/C18H25ClO2Si/c1-4-21-18(20)14-8-12-17(13-9-15-19)22(2,3)16-10-6-5-7-11-16/h5-8,10-11H,4,9,13-15H2,1-3H3
InChIKeySFUCKHJUBOXBEA-UHFFFAOYSA-N
MW336.94 g/mol
LogP4.19
Rot. Bonds8

About ethyl 8-chloro-5-[dimethyl(phenyl)silyl]octa-3,4-dienoate

ethyl 8-chloro-5-[dimethyl(phenyl)silyl]octa-3,4-dienoate (PubChem CID 164686274) has the molecular formula C18H25ClO2Si and a molecular weight of 336.94 g/mol. Its IUPAC name is ethyl 8-chloro-5-[dimethyl(phenyl)silyl]octa-3,4-dienoate.

Molecular Properties

Compound Nameethyl 8-chloro-5-[dimethyl(phenyl)silyl]octa-3,4-dienoate
PubChem CID164686274
Molecular FormulaC18H25ClO2Si
Molecular Weight336.94 g/mol
Exact Mass336.13
IUPAC Nameethyl 8-chloro-5-[dimethyl(phenyl)silyl]octa-3,4-dienoate
SMILESCCOC(=O)CC=C=C(CCCCl)[Si](C)(C)c1ccccc1
InChIInChI=1S/C18H25ClO2Si/c1-4-21-18(20)14-8-12-17(13-9-15-19)22(2,3)16-10-6-5-7-11-16/h5-8,10-11H,4,9,13-15H2,1-3H3
InChIKeySFUCKHJUBOXBEA-UHFFFAOYSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.94
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[dimethyl(phenyl)silyl]but-3-enoate
CID 134967582
ethyl (E)-3-[dimethyl(phenyl)silyl]-5-phenylpent-3-enoate
CID 135062042
triphenylsilyl 4-chlorobutanoate
CID 87706253
ethyl 3-(N-(5-chloropentanoylamino)anilino)-3-oxopropanoate
CID 118453371
ethyl (E)-2-[dimethyl(phenyl)silyl]-3-trimethylsilylprop-2-enoate
CID 138983143
ethyl (E)-3-[dimethyl(phenyl)silyl]pent-2-enoate
CID 135057916
ethyl 2-[2-[dimethyl(phenyl)silyl]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 171623839
ethyl 2-[2-(5-chloropentanoylamino)phenyl]acetate
CID 19599425
methyl (E)-3-[dimethyl(phenyl)silyl]hept-2-enoate
CID 134861981
ethyl 3-[dimethyl(phenyl)silyl]-2,4-dimethylpent-3-enoate
CID 134863157
ethyl (E)-4-benzylnon-3-enoate
CID 134916535
ethyl 2-triphenylstannylacetate
CID 4138734

Frequently Asked Questions

What is the IUPAC name of ethyl 8-chloro-5-[dimethyl(phenyl)silyl]octa-3,4-dienoate?
The IUPAC name of ethyl 8-chloro-5-[dimethyl(phenyl)silyl]octa-3,4-dienoate (CID 164686274) is ethyl 8-chloro-5-[dimethyl(phenyl)silyl]octa-3,4-dienoate.
What is the SMILES notation for ethyl 8-chloro-5-[dimethyl(phenyl)silyl]octa-3,4-dienoate?
The canonical SMILES for ethyl 8-chloro-5-[dimethyl(phenyl)silyl]octa-3,4-dienoate is CCOC(=O)CC=C=C(CCCCl)[Si](C)(C)c1ccccc1.
What is the InChIKey of ethyl 8-chloro-5-[dimethyl(phenyl)silyl]octa-3,4-dienoate?
The InChIKey is SFUCKHJUBOXBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClO2Si/c1-4-21-18(20)14-8-12-17(13-9-15-19)22(2,3)16-10-6-5-7-11-16/h5-8,10-11H,4,9,13-15H2,1-3H3.
What are the key properties of ethyl 8-chloro-5-[dimethyl(phenyl)silyl]octa-3,4-dienoate?
ethyl 8-chloro-5-[dimethyl(phenyl)silyl]octa-3,4-dienoate has a molecular weight of 336.94 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-chloro-5-[dimethyl(phenyl)silyl]octa-3,4-dienoate is sourced from PubChem (CID 164686274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).