14-trichlorosilyltetradecyl but-2-enoate

C18H33Cl3O2Si — CID 174106042

IUPAC14-trichlorosilyltetradecyl but-2-enoate
SMILESCC=CC(=O)OCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C18H33Cl3O2Si/c1-2-15-18(22)23-16-13-11-9-7-5-3-4-6-8-10-12-14-17-24(19,20)21/h2,15H,3-14,16-17H2,1H3
InChIKeyNONCOLWJGIFJCV-UHFFFAOYSA-N
MW415.91 g/mol
LogP7.44
Rot. Bonds16

About 14-trichlorosilyltetradecyl but-2-enoate

14-trichlorosilyltetradecyl but-2-enoate (PubChem CID 174106042) has the molecular formula C18H33Cl3O2Si and a molecular weight of 415.91 g/mol. Its IUPAC name is 14-trichlorosilyltetradecyl but-2-enoate.

Molecular Properties

Compound Name14-trichlorosilyltetradecyl but-2-enoate
PubChem CID174106042
Molecular FormulaC18H33Cl3O2Si
Molecular Weight415.91 g/mol
Exact Mass414.13
IUPAC Name14-trichlorosilyltetradecyl but-2-enoate
SMILESCC=CC(=O)OCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C18H33Cl3O2Si/c1-2-15-18(22)23-16-13-11-9-7-5-3-4-6-8-10-12-14-17-24(19,20)21/h2,15H,3-14,16-17H2,1H3
InChIKeyNONCOLWJGIFJCV-UHFFFAOYSA-N
XLogP7.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.91
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 14-trichlorosilyltetradecyl but-2-enoate?
The IUPAC name of 14-trichlorosilyltetradecyl but-2-enoate (CID 174106042) is 14-trichlorosilyltetradecyl but-2-enoate.
What is the SMILES notation for 14-trichlorosilyltetradecyl but-2-enoate?
The canonical SMILES for 14-trichlorosilyltetradecyl but-2-enoate is CC=CC(=O)OCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl.
What is the InChIKey of 14-trichlorosilyltetradecyl but-2-enoate?
The InChIKey is NONCOLWJGIFJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33Cl3O2Si/c1-2-15-18(22)23-16-13-11-9-7-5-3-4-6-8-10-12-14-17-24(19,20)21/h2,15H,3-14,16-17H2,1H3.
What are the key properties of 14-trichlorosilyltetradecyl but-2-enoate?
14-trichlorosilyltetradecyl but-2-enoate has a molecular weight of 415.91 g/mol, XLogP of 7.44, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-trichlorosilyltetradecyl but-2-enoate is sourced from PubChem (CID 174106042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).