1-[ethoxy-methoxy-[(1-oxo-2,4,5-trioxa-1λ5-phosphabicyclo[1.1.1]pentan-3-yl)oxy]silyl]propyl prop-2-enoate

C10H17O9PSi — CID 178069792

IUPAC1-[ethoxy-methoxy-[(1-oxo-2,4,5-trioxa-1λ5-phosphabicyclo[1.1.1]pentan-3-yl)oxy]silyl]propyl prop-2-enoate
SMILESC=CC(=O)OC(CC)[Si](OC)(OCC)OC12OP(=O)(O1)O2
InChIInChI=1S/C10H17O9PSi/c1-5-8(11)15-9(6-2)21(13-4,14-7-3)19-10-16-20(12,17-10)18-10/h5,9H,1,6-7H2,2-4H3
InChIKeyMHSDHVNBIOZVNK-UHFFFAOYSA-N
MW340.30 g/mol
LogP1.47
Rot. Bonds9

About 1-[ethoxy-methoxy-[(1-oxo-2,4,5-trioxa-1λ5-phosphabicyclo[1.1.1]pentan-3-yl)oxy]silyl]propyl prop-2-enoate

1-[ethoxy-methoxy-[(1-oxo-2,4,5-trioxa-1λ5-phosphabicyclo[1.1.1]pentan-3-yl)oxy]silyl]propyl prop-2-enoate (PubChem CID 178069792) has the molecular formula C10H17O9PSi and a molecular weight of 340.30 g/mol. Its IUPAC name is 1-[ethoxy-methoxy-[(1-oxo-2,4,5-trioxa-1λ5-phosphabicyclo[1.1.1]pentan-3-yl)oxy]silyl]propyl prop-2-enoate.

Molecular Properties

Compound Name1-[ethoxy-methoxy-[(1-oxo-2,4,5-trioxa-1λ5-phosphabicyclo[1.1.1]pentan-3-yl)oxy]silyl]propyl prop-2-enoate
PubChem CID178069792
Molecular FormulaC10H17O9PSi
Molecular Weight340.30 g/mol
Exact Mass340.04
IUPAC Name1-[ethoxy-methoxy-[(1-oxo-2,4,5-trioxa-1λ5-phosphabicyclo[1.1.1]pentan-3-yl)oxy]silyl]propyl prop-2-enoate
SMILESC=CC(=O)OC(CC)[Si](OC)(OCC)OC12OP(=O)(O1)O2
InChIInChI=1S/C10H17O9PSi/c1-5-8(11)15-9(6-2)21(13-4,14-7-3)19-10-16-20(12,17-10)18-10/h5,9H,1,6-7H2,2-4H3
InChIKeyMHSDHVNBIOZVNK-UHFFFAOYSA-N
XLogP1.47
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[[ethoxy(dimethyl)silyl]-bis[methoxy(dimethyl)silyl]silyl]propyl prop-2-enoate
CID 141421352
1-tris[[ethenyl(dimethyl)silyl]oxy]silylpropyl prop-2-enoate
CID 87532765
1-tri(propan-2-yloxy)silylpropyl prop-2-enoate
CID 87405020
ethoxyethane;1-trimethoxysilylbutyl prop-2-enoate
CID 174844646
(3-methoxy-1-trimethoxysilylpropyl) prop-2-enoate
CID 174944570
1-trimethoxysilyldodecyl prop-2-enoate
CID 175341849
4-triethoxysilylhex-1-en-3-one
CID 87180757
CID 170564806
CID 170564806
2-(1-triethoxysilylethoxy)ethyl prop-2-enoate
CID 175059321
1-triethoxysilylpropyl 2-methylbutanoate
CID 22902856
[(1S)-1-hydroxypropyl] prop-2-enoate
CID 88739010
(amino-methoxy-methylsilyl)oxymethane;2-silyloxypentan-3-yl prop-2-enoate
CID 174833655

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy-methoxy-[(1-oxo-2,4,5-trioxa-1λ5-phosphabicyclo[1.1.1]pentan-3-yl)oxy]silyl]propyl prop-2-enoate?
The IUPAC name of 1-[ethoxy-methoxy-[(1-oxo-2,4,5-trioxa-1λ5-phosphabicyclo[1.1.1]pentan-3-yl)oxy]silyl]propyl prop-2-enoate (CID 178069792) is 1-[ethoxy-methoxy-[(1-oxo-2,4,5-trioxa-1λ5-phosphabicyclo[1.1.1]pentan-3-yl)oxy]silyl]propyl prop-2-enoate.
What is the SMILES notation for 1-[ethoxy-methoxy-[(1-oxo-2,4,5-trioxa-1λ5-phosphabicyclo[1.1.1]pentan-3-yl)oxy]silyl]propyl prop-2-enoate?
The canonical SMILES for 1-[ethoxy-methoxy-[(1-oxo-2,4,5-trioxa-1λ5-phosphabicyclo[1.1.1]pentan-3-yl)oxy]silyl]propyl prop-2-enoate is C=CC(=O)OC(CC)[Si](OC)(OCC)OC12OP(=O)(O1)O2.
What is the InChIKey of 1-[ethoxy-methoxy-[(1-oxo-2,4,5-trioxa-1λ5-phosphabicyclo[1.1.1]pentan-3-yl)oxy]silyl]propyl prop-2-enoate?
The InChIKey is MHSDHVNBIOZVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O9PSi/c1-5-8(11)15-9(6-2)21(13-4,14-7-3)19-10-16-20(12,17-10)18-10/h5,9H,1,6-7H2,2-4H3.
What are the key properties of 1-[ethoxy-methoxy-[(1-oxo-2,4,5-trioxa-1λ5-phosphabicyclo[1.1.1]pentan-3-yl)oxy]silyl]propyl prop-2-enoate?
1-[ethoxy-methoxy-[(1-oxo-2,4,5-trioxa-1λ5-phosphabicyclo[1.1.1]pentan-3-yl)oxy]silyl]propyl prop-2-enoate has a molecular weight of 340.30 g/mol, XLogP of 1.47, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy-methoxy-[(1-oxo-2,4,5-trioxa-1λ5-phosphabicyclo[1.1.1]pentan-3-yl)oxy]silyl]propyl prop-2-enoate is sourced from PubChem (CID 178069792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).