7-trichlorosilylheptyl but-2-enoate

C11H19Cl3O2Si — CID 174106010

IUPAC7-trichlorosilylheptyl but-2-enoate
SMILESCC=CC(=O)OCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C11H19Cl3O2Si/c1-2-8-11(15)16-9-6-4-3-5-7-10-17(12,13)14/h2,8H,3-7,9-10H2,1H3
InChIKeyFPTYZRCIIGSHAQ-UHFFFAOYSA-N
MW317.72 g/mol
LogP4.71
Rot. Bonds9

About 7-trichlorosilylheptyl but-2-enoate

7-trichlorosilylheptyl but-2-enoate (PubChem CID 174106010) has the molecular formula C11H19Cl3O2Si and a molecular weight of 317.72 g/mol. Its IUPAC name is 7-trichlorosilylheptyl but-2-enoate.

Molecular Properties

Compound Name7-trichlorosilylheptyl but-2-enoate
PubChem CID174106010
Molecular FormulaC11H19Cl3O2Si
Molecular Weight317.72 g/mol
Exact Mass316.02
IUPAC Name7-trichlorosilylheptyl but-2-enoate
SMILESCC=CC(=O)OCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C11H19Cl3O2Si/c1-2-8-11(15)16-9-6-4-3-5-7-10-17(12,13)14/h2,8H,3-7,9-10H2,1H3
InChIKeyFPTYZRCIIGSHAQ-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.72
LogP ≤ 54.71
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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Related Compounds

13-trichlorosilyltridecyl but-2-enoate
CID 174106076
9-trichlorosilylnonyl but-2-enoate
CID 174105776
14-trichlorosilyltetradecyl but-2-enoate
CID 174106042
8-trichlorosilyloctyl but-2-enoate
CID 174105922
5-[chloro(dimethyl)silyl]pentyl but-2-enoate
CID 174106073
13-trichlorosilyltridecyl but-2-eneperoxoate
CID 174106306
11-trimethoxysilylundecyl but-2-enoate
CID 141363372
19-[bromo(dimethyl)silyl]nonadecyl but-2-enoate
CID 174106044
4-trifluorosilylbutyl but-2-enoate
CID 174106149
4-[fluoro(dimethyl)silyl]butyl but-2-enoate
CID 174106106
dodecyl (E)-but-2-enoate
CID 5462914
9-tri(propan-2-yloxy)silylnonyl but-2-enoate
CID 174208897

Frequently Asked Questions

What is the IUPAC name of 7-trichlorosilylheptyl but-2-enoate?
The IUPAC name of 7-trichlorosilylheptyl but-2-enoate (CID 174106010) is 7-trichlorosilylheptyl but-2-enoate.
What is the SMILES notation for 7-trichlorosilylheptyl but-2-enoate?
The canonical SMILES for 7-trichlorosilylheptyl but-2-enoate is CC=CC(=O)OCCCCCCC[Si](Cl)(Cl)Cl.
What is the InChIKey of 7-trichlorosilylheptyl but-2-enoate?
The InChIKey is FPTYZRCIIGSHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Cl3O2Si/c1-2-8-11(15)16-9-6-4-3-5-7-10-17(12,13)14/h2,8H,3-7,9-10H2,1H3.
What are the key properties of 7-trichlorosilylheptyl but-2-enoate?
7-trichlorosilylheptyl but-2-enoate has a molecular weight of 317.72 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-trichlorosilylheptyl but-2-enoate is sourced from PubChem (CID 174106010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).