4-[dibutoxy(4-prop-2-enoyloxybutoxy)silyl]oxybutyl prop-2-enoate

C22H40O8Si — CID 139621276

IUPAC4-[dibutoxy(4-prop-2-enoyloxybutoxy)silyl]oxybutyl prop-2-enoate
SMILESC=CC(=O)OCCCCO[Si](OCCCC)(OCCCC)OCCCCOC(=O)C=C
InChIInChI=1S/C22H40O8Si/c1-5-9-17-27-31(28-18-10-6-2,29-19-13-11-15-25-21(23)7-3)30-20-14-12-16-26-22(24)8-4/h7-8H,3-6,9-20H2,1-2H3
InChIKeyWNIXCKNJOGLRPN-UHFFFAOYSA-N
MW460.64 g/mol
LogP4.11
Rot. Bonds22

About 4-[dibutoxy(4-prop-2-enoyloxybutoxy)silyl]oxybutyl prop-2-enoate

4-[dibutoxy(4-prop-2-enoyloxybutoxy)silyl]oxybutyl prop-2-enoate (PubChem CID 139621276) has the molecular formula C22H40O8Si and a molecular weight of 460.64 g/mol. Its IUPAC name is 4-[dibutoxy(4-prop-2-enoyloxybutoxy)silyl]oxybutyl prop-2-enoate.

Molecular Properties

Compound Name4-[dibutoxy(4-prop-2-enoyloxybutoxy)silyl]oxybutyl prop-2-enoate
PubChem CID139621276
Molecular FormulaC22H40O8Si
Molecular Weight460.64 g/mol
Exact Mass460.25
IUPAC Name4-[dibutoxy(4-prop-2-enoyloxybutoxy)silyl]oxybutyl prop-2-enoate
SMILESC=CC(=O)OCCCCO[Si](OCCCC)(OCCCC)OCCCCOC(=O)C=C
InChIInChI=1S/C22H40O8Si/c1-5-9-17-27-31(28-18-10-6-2,29-19-13-11-15-25-21(23)7-3)30-20-14-12-16-26-22(24)8-4/h7-8H,3-6,9-20H2,1-2H3
InChIKeyWNIXCKNJOGLRPN-UHFFFAOYSA-N
XLogP4.11
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.64
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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'}

Analyze 4-[dibutoxy(4-prop-2-enoyloxybutoxy)silyl]oxybutyl prop-2-enoate with MolForge

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Related Compounds

4-[butoxy(dimethyl)silyl]butyl prop-2-enoate
CID 151407339
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
3-tripentoxysilylpropyl prop-2-enoate
CID 151204895
3-[butoxy(dimethyl)silyl]propyl prop-2-enoate
CID 142550479
3-[dibutoxy(methyl)silyl]propyl prop-2-enoate
CID 21432061
pentyl prop-2-enoate;propyl prop-2-enoate
CID 175293000

Frequently Asked Questions

What is the IUPAC name of 4-[dibutoxy(4-prop-2-enoyloxybutoxy)silyl]oxybutyl prop-2-enoate?
The IUPAC name of 4-[dibutoxy(4-prop-2-enoyloxybutoxy)silyl]oxybutyl prop-2-enoate (CID 139621276) is 4-[dibutoxy(4-prop-2-enoyloxybutoxy)silyl]oxybutyl prop-2-enoate.
What is the SMILES notation for 4-[dibutoxy(4-prop-2-enoyloxybutoxy)silyl]oxybutyl prop-2-enoate?
The canonical SMILES for 4-[dibutoxy(4-prop-2-enoyloxybutoxy)silyl]oxybutyl prop-2-enoate is C=CC(=O)OCCCCO[Si](OCCCC)(OCCCC)OCCCCOC(=O)C=C.
What is the InChIKey of 4-[dibutoxy(4-prop-2-enoyloxybutoxy)silyl]oxybutyl prop-2-enoate?
The InChIKey is WNIXCKNJOGLRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O8Si/c1-5-9-17-27-31(28-18-10-6-2,29-19-13-11-15-25-21(23)7-3)30-20-14-12-16-26-22(24)8-4/h7-8H,3-6,9-20H2,1-2H3.
What are the key properties of 4-[dibutoxy(4-prop-2-enoyloxybutoxy)silyl]oxybutyl prop-2-enoate?
4-[dibutoxy(4-prop-2-enoyloxybutoxy)silyl]oxybutyl prop-2-enoate has a molecular weight of 460.64 g/mol, XLogP of 4.11, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dibutoxy(4-prop-2-enoyloxybutoxy)silyl]oxybutyl prop-2-enoate is sourced from PubChem (CID 139621276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).