6-trichlorosilylhexyl (E)-3-[4-(pentanoylamino)phenyl]prop-2-enoate

C20H28Cl3NO3Si — CID 140988216

IUPAC6-trichlorosilylhexyl (E)-3-[4-(pentanoylamino)phenyl]prop-2-enoate
SMILESCCCCC(=O)Nc1ccc(/C=C/C(=O)OCCCCCC[Si](Cl)(Cl)Cl)cc1
InChIInChI=1S/C20H28Cl3NO3Si/c1-2-3-8-19(25)24-18-12-9-17(10-13-18)11-14-20(26)27-15-6-4-5-7-16-28(21,22)23/h9-14H,2-8,15-16H2,1H3,(H,24,25)/b14-11+
InChIKeyIOMPHHQWSGFGNI-SDNWHVSQSA-N
MW464.89 g/mol
LogP6.59
Rot. Bonds13

About 6-trichlorosilylhexyl (E)-3-[4-(pentanoylamino)phenyl]prop-2-enoate

6-trichlorosilylhexyl (E)-3-[4-(pentanoylamino)phenyl]prop-2-enoate (PubChem CID 140988216) has the molecular formula C20H28Cl3NO3Si and a molecular weight of 464.89 g/mol. Its IUPAC name is 6-trichlorosilylhexyl (E)-3-[4-(pentanoylamino)phenyl]prop-2-enoate.

Molecular Properties

Compound Name6-trichlorosilylhexyl (E)-3-[4-(pentanoylamino)phenyl]prop-2-enoate
PubChem CID140988216
Molecular FormulaC20H28Cl3NO3Si
Molecular Weight464.89 g/mol
Exact Mass463.09
IUPAC Name6-trichlorosilylhexyl (E)-3-[4-(pentanoylamino)phenyl]prop-2-enoate
SMILESCCCCC(=O)Nc1ccc(/C=C/C(=O)OCCCCCC[Si](Cl)(Cl)Cl)cc1
InChIInChI=1S/C20H28Cl3NO3Si/c1-2-3-8-19(25)24-18-12-9-17(10-13-18)11-14-20(26)27-15-6-4-5-7-16-28(21,22)23/h9-14H,2-8,15-16H2,1H3,(H,24,25)/b14-11+
InChIKeyIOMPHHQWSGFGNI-SDNWHVSQSA-N
XLogP6.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.89
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

octadecyl 3-[4-(3-octadecoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
CID 54159184
6-trichlorosilylhexyl (E)-3-[4-(3-hexoxy-4-methoxyphenyl)phenyl]prop-2-enoate
CID 140988117
3-[4-(decanoylamino)phenyl]prop-2-enoic acid
CID 70242495
7-trichlorosilylheptyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 140988185
hexacosyl 3-(4-hydroxyphenyl)prop-2-enoate
CID 516554
octyl (E)-4-(4-chloroanilino)-4-oxobut-2-enoate
CID 91713083
methyl (E)-3-[4-(6-aminohexanoylamino)phenyl]prop-2-enoate;hydrochloride
CID 18690273
hexyl (Z)-4-(4-methylanilino)-4-oxobut-2-enoate
CID 139644323
butyl 4-[[2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]oxyacetyl]amino]benzoate
CID 7767166
octyl 3-(4-cyanophenyl)prop-2-enoate
CID 174991868
butyl 3-[4-[3-[6-[6-[3-[4-(3-butoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoyloxy]hexoxy-hydroxyphosphoryl]oxyhexoxy]-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 154199339
butyl 3-(4-methoxyphenyl)prop-2-enoate
CID 53421003

Frequently Asked Questions

What is the IUPAC name of 6-trichlorosilylhexyl (E)-3-[4-(pentanoylamino)phenyl]prop-2-enoate?
The IUPAC name of 6-trichlorosilylhexyl (E)-3-[4-(pentanoylamino)phenyl]prop-2-enoate (CID 140988216) is 6-trichlorosilylhexyl (E)-3-[4-(pentanoylamino)phenyl]prop-2-enoate.
What is the SMILES notation for 6-trichlorosilylhexyl (E)-3-[4-(pentanoylamino)phenyl]prop-2-enoate?
The canonical SMILES for 6-trichlorosilylhexyl (E)-3-[4-(pentanoylamino)phenyl]prop-2-enoate is CCCCC(=O)Nc1ccc(/C=C/C(=O)OCCCCCC[Si](Cl)(Cl)Cl)cc1.
What is the InChIKey of 6-trichlorosilylhexyl (E)-3-[4-(pentanoylamino)phenyl]prop-2-enoate?
The InChIKey is IOMPHHQWSGFGNI-SDNWHVSQSA-N. The full InChI is InChI=1S/C20H28Cl3NO3Si/c1-2-3-8-19(25)24-18-12-9-17(10-13-18)11-14-20(26)27-15-6-4-5-7-16-28(21,22)23/h9-14H,2-8,15-16H2,1H3,(H,24,25)/b14-11+.
What are the key properties of 6-trichlorosilylhexyl (E)-3-[4-(pentanoylamino)phenyl]prop-2-enoate?
6-trichlorosilylhexyl (E)-3-[4-(pentanoylamino)phenyl]prop-2-enoate has a molecular weight of 464.89 g/mol, XLogP of 6.59, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-trichlorosilylhexyl (E)-3-[4-(pentanoylamino)phenyl]prop-2-enoate is sourced from PubChem (CID 140988216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).