3-di(propan-2-yloxy)silylpropyl prop-2-enoate;ethenyl acetate

C16H30O6Si — CID 157402000

IUPAC3-di(propan-2-yloxy)silylpropyl prop-2-enoate;ethenyl acetate
SMILESC=CC(=O)OCCC[SiH](OC(C)C)OC(C)C.C=COC(C)=O
InChIInChI=1S/C12H24O4Si.C4H6O2/c1-6-12(13)14-8-7-9-17(15-10(2)3)16-11(4)5;1-3-6-4(2)5/h6,10-11,17H,1,7-9H2,2-5H3;3H,1H2,2H3
InChIKeyBNGYUETXIZWUOI-UHFFFAOYSA-N
MW346.50 g/mol
LogP2.87
Rot. Bonds10

About 3-di(propan-2-yloxy)silylpropyl prop-2-enoate;ethenyl acetate

3-di(propan-2-yloxy)silylpropyl prop-2-enoate;ethenyl acetate (PubChem CID 157402000) has the molecular formula C16H30O6Si and a molecular weight of 346.50 g/mol. Its IUPAC name is 3-di(propan-2-yloxy)silylpropyl prop-2-enoate;ethenyl acetate.

Molecular Properties

Compound Name3-di(propan-2-yloxy)silylpropyl prop-2-enoate;ethenyl acetate
PubChem CID157402000
Molecular FormulaC16H30O6Si
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name3-di(propan-2-yloxy)silylpropyl prop-2-enoate;ethenyl acetate
SMILESC=CC(=O)OCCC[SiH](OC(C)C)OC(C)C.C=COC(C)=O
InChIInChI=1S/C12H24O4Si.C4H6O2/c1-6-12(13)14-8-7-9-17(15-10(2)3)16-11(4)5;1-3-6-4(2)5/h6,10-11,17H,1,7-9H2,2-5H3;3H,1H2,2H3
InChIKeyBNGYUETXIZWUOI-UHFFFAOYSA-N
XLogP2.87
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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

butyl prop-2-enoate;ethenyl acetate
CID 23373234
ethenyl acetate;octyl prop-2-enoate
CID 22497770
butyl prop-2-enoate;ethenyl acetate;2-hydroxyethyl prop-2-enoate
CID 158722380
ethenyl acetate;prop-2-enyl prop-2-enoate;hydrochloride
CID 88696275
butyl prop-2-enoate;ethenyl acetate;2-methylprop-2-enoic acid
CID 159202277
3-diethoxysilylpropyl prop-2-enoate
CID 123313393
4-di(propan-2-yloxy)silylbutan-2-yl prop-2-enoate
CID 151879841
acetyl acetate;3-hydroxypropyl prop-2-enoate
CID 146356068
3-[methyl(silyl)silyl]propyl prop-2-enoate
CID 154347322
butyl prop-2-enoate;ethenyl acetate;hexyl 2-methylidenebutanoate;prop-2-enyl prop-2-enoate
CID 173347288
4-tri(propan-2-yloxy)silylbutyl prop-2-enoate
CID 141323279
4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 164930004

Frequently Asked Questions

What is the IUPAC name of 3-di(propan-2-yloxy)silylpropyl prop-2-enoate;ethenyl acetate?
The IUPAC name of 3-di(propan-2-yloxy)silylpropyl prop-2-enoate;ethenyl acetate (CID 157402000) is 3-di(propan-2-yloxy)silylpropyl prop-2-enoate;ethenyl acetate.
What is the SMILES notation for 3-di(propan-2-yloxy)silylpropyl prop-2-enoate;ethenyl acetate?
The canonical SMILES for 3-di(propan-2-yloxy)silylpropyl prop-2-enoate;ethenyl acetate is C=CC(=O)OCCC[SiH](OC(C)C)OC(C)C.C=COC(C)=O.
What is the InChIKey of 3-di(propan-2-yloxy)silylpropyl prop-2-enoate;ethenyl acetate?
The InChIKey is BNGYUETXIZWUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si.C4H6O2/c1-6-12(13)14-8-7-9-17(15-10(2)3)16-11(4)5;1-3-6-4(2)5/h6,10-11,17H,1,7-9H2,2-5H3;3H,1H2,2H3.
What are the key properties of 3-di(propan-2-yloxy)silylpropyl prop-2-enoate;ethenyl acetate?
3-di(propan-2-yloxy)silylpropyl prop-2-enoate;ethenyl acetate has a molecular weight of 346.50 g/mol, XLogP of 2.87, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-di(propan-2-yloxy)silylpropyl prop-2-enoate;ethenyl acetate is sourced from PubChem (CID 157402000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).