3-ethoxysilylpropyl hex-2-enoate

C11H22O3Si — CID 154200355

IUPAC3-ethoxysilylpropyl hex-2-enoate
SMILESCCCC=CC(=O)OCCC[SiH2]OCC
InChIInChI=1S/C11H22O3Si/c1-3-5-6-8-11(12)13-9-7-10-15-14-4-2/h6,8H,3-5,7,9-10,15H2,1-2H3
InChIKeyCFUBGGPSGDDDHJ-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.81
Rot. Bonds9

About 3-ethoxysilylpropyl hex-2-enoate

3-ethoxysilylpropyl hex-2-enoate (PubChem CID 154200355) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is 3-ethoxysilylpropyl hex-2-enoate.

Molecular Properties

Compound Name3-ethoxysilylpropyl hex-2-enoate
PubChem CID154200355
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name3-ethoxysilylpropyl hex-2-enoate
SMILESCCCC=CC(=O)OCCC[SiH2]OCC
InChIInChI=1S/C11H22O3Si/c1-3-5-6-8-11(12)13-9-7-10-15-14-4-2/h6,8H,3-5,7,9-10,15H2,1-2H3
InChIKeyCFUBGGPSGDDDHJ-UHFFFAOYSA-N
XLogP1.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.81
H-Bond Donors ≤ 50
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'}

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Related Compounds

3-ethoxysilylpropyl prop-2-enoate;triethoxysilane
CID 157454535
heptyl icos-2-enoate
CID 91580884
dodecyl octadec-2-enoate
CID 71338613
butyl icos-2-enoate
CID 91561454
tetradecyl tetradec-2-enoate
CID 71404583
tetratriacontyl icos-2-enoate
CID 175935411
butyl (E)-5-aminopent-2-enoate
CID 90071570
pentadecyl icos-2-enoate
CID 175935360
9,10-dioxooctadecyl hex-2-enoate
CID 71338103
3-ethoxysilylpropyl prop-2-enoate;methyl 2-methylprop-2-enoate
CID 174956610
3-ethoxysilylpropyl N-ethoxycarbamate
CID 151174569
nonyl 5-acetyloxypent-2-enoate
CID 54396118

Frequently Asked Questions

What is the IUPAC name of 3-ethoxysilylpropyl hex-2-enoate?
The IUPAC name of 3-ethoxysilylpropyl hex-2-enoate (CID 154200355) is 3-ethoxysilylpropyl hex-2-enoate.
What is the SMILES notation for 3-ethoxysilylpropyl hex-2-enoate?
The canonical SMILES for 3-ethoxysilylpropyl hex-2-enoate is CCCC=CC(=O)OCCC[SiH2]OCC.
What is the InChIKey of 3-ethoxysilylpropyl hex-2-enoate?
The InChIKey is CFUBGGPSGDDDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-3-5-6-8-11(12)13-9-7-10-15-14-4-2/h6,8H,3-5,7,9-10,15H2,1-2H3.
What are the key properties of 3-ethoxysilylpropyl hex-2-enoate?
3-ethoxysilylpropyl hex-2-enoate has a molecular weight of 230.38 g/mol, XLogP of 1.81, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxysilylpropyl hex-2-enoate is sourced from PubChem (CID 154200355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).