3-[3-cyanopropyl-(3-isocyanopropyl)-(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate

C20H30N2O4Si — CID 23382012

IUPAC3-[3-cyanopropyl-(3-isocyanopropyl)-(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate
SMILES[C-]#[N+]CCC[Si](CCCC#N)(CCCOC(=O)C=C)CCCOC(=O)C=C
InChIInChI=1S/C20H30N2O4Si/c1-4-19(23)25-13-9-17-27(15-7-6-11-21,16-8-12-22-3)18-10-14-26-20(24)5-2/h4-5H,1-2,6-10,12-18H2
InChIKeyILMPOIQAPHKJCL-UHFFFAOYSA-N
MW390.56 g/mol
LogP4.29
Rot. Bonds16

About 3-[3-cyanopropyl-(3-isocyanopropyl)-(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate

3-[3-cyanopropyl-(3-isocyanopropyl)-(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate (PubChem CID 23382012) has the molecular formula C20H30N2O4Si and a molecular weight of 390.56 g/mol. Its IUPAC name is 3-[3-cyanopropyl-(3-isocyanopropyl)-(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[3-cyanopropyl-(3-isocyanopropyl)-(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate
PubChem CID23382012
Molecular FormulaC20H30N2O4Si
Molecular Weight390.56 g/mol
Exact Mass390.20
IUPAC Name3-[3-cyanopropyl-(3-isocyanopropyl)-(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate
SMILES[C-]#[N+]CCC[Si](CCCC#N)(CCCOC(=O)C=C)CCCOC(=O)C=C
InChIInChI=1S/C20H30N2O4Si/c1-4-19(23)25-13-9-17-27(15-7-6-11-21,16-8-12-22-3)18-10-14-26-20(24)5-2/h4-5H,1-2,6-10,12-18H2
InChIKeyILMPOIQAPHKJCL-UHFFFAOYSA-N
XLogP4.29
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.56
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[3-cyanopropyl-(3-isocyanopropyl)-(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate with MolForge

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Related Compounds

3-[tris(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate
CID 140784915
3-[3-prop-2-enoyloxypropyl(dipropyl)silyl]propyl prop-2-enoate
CID 87228396
3-tris(prop-2-enyl)silylpropyl prop-2-enoate
CID 125370311
4-cyanobutyl prop-2-enoate;hex-5-ynoic acid
CID 175289131
3-trimethoxysilylpropyl prop-2-enoate;hydrate
CID 141437630
butyl prop-2-enoate;undec-10-enenitrile
CID 86725080
3-cyanatopropyl prop-2-enoate
CID 54399248
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
3-carbamoyloxypropyl prop-2-enoate
CID 58831010
4-(1-cyanoethoxy)butyl prop-2-enoate
CID 141064228

Frequently Asked Questions

What is the IUPAC name of 3-[3-cyanopropyl-(3-isocyanopropyl)-(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate?
The IUPAC name of 3-[3-cyanopropyl-(3-isocyanopropyl)-(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate (CID 23382012) is 3-[3-cyanopropyl-(3-isocyanopropyl)-(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate.
What is the SMILES notation for 3-[3-cyanopropyl-(3-isocyanopropyl)-(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate?
The canonical SMILES for 3-[3-cyanopropyl-(3-isocyanopropyl)-(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate is [C-]#[N+]CCC[Si](CCCC#N)(CCCOC(=O)C=C)CCCOC(=O)C=C.
What is the InChIKey of 3-[3-cyanopropyl-(3-isocyanopropyl)-(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate?
The InChIKey is ILMPOIQAPHKJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4Si/c1-4-19(23)25-13-9-17-27(15-7-6-11-21,16-8-12-22-3)18-10-14-26-20(24)5-2/h4-5H,1-2,6-10,12-18H2.
What are the key properties of 3-[3-cyanopropyl-(3-isocyanopropyl)-(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate?
3-[3-cyanopropyl-(3-isocyanopropyl)-(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate has a molecular weight of 390.56 g/mol, XLogP of 4.29, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-cyanopropyl-(3-isocyanopropyl)-(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate is sourced from PubChem (CID 23382012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).