(4,4-diethoxy-3-silylbutyl) prop-2-enoate

C11H22O4Si — CID 174393273

IUPAC(4,4-diethoxy-3-silylbutyl) prop-2-enoate
SMILESC=CC(=O)OCCC([SiH3])C(OCC)OCC
InChIInChI=1S/C11H22O4Si/c1-4-10(12)15-8-7-9(16)11(13-5-2)14-6-3/h4,9,11H,1,5-8H2,2-3,16H3
InChIKeyLVQBKQIITBXSSY-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.66
Rot. Bonds9

About (4,4-diethoxy-3-silylbutyl) prop-2-enoate

(4,4-diethoxy-3-silylbutyl) prop-2-enoate (PubChem CID 174393273) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is (4,4-diethoxy-3-silylbutyl) prop-2-enoate.

Molecular Properties

Compound Name(4,4-diethoxy-3-silylbutyl) prop-2-enoate
PubChem CID174393273
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Name(4,4-diethoxy-3-silylbutyl) prop-2-enoate
SMILESC=CC(=O)OCCC([SiH3])C(OCC)OCC
InChIInChI=1S/C11H22O4Si/c1-4-10(12)15-8-7-9(16)11(13-5-2)14-6-3/h4,9,11H,1,5-8H2,2-3,16H3
InChIKeyLVQBKQIITBXSSY-UHFFFAOYSA-N
XLogP0.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-methyl-4-prop-2-enoyloxybutanoate
CID 59157368
3-(2-prop-2-enoyloxyethyl)hexyl prop-2-enoate
CID 19016961
ethoxyethane;2-hydroxyethyl prop-2-enoate
CID 87338158
chlorosilane;3,3-dichloropropyl prop-2-enoate
CID 173094575
3-chlorohexyl prop-2-enoate
CID 150301446
2-(2,2-diethoxyethylsilyl)ethyl prop-2-enoate
CID 154323498
4-[1,2,2-tris(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 134465338
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-ethoxybutoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butyl prop-2-enoate
CID 22918013
6-ethoxyhexyl prop-2-enoate
CID 88877184
(4-hydroxy-3-methyl-4-prop-2-enoyloxybutyl) prop-2-enoate
CID 19429006
[2-(dimethylamino)-2-ethoxyethyl] prop-2-enoate
CID 58203187
(6-hydroxy-3,4,5-trimethylhexyl) prop-2-enoate
CID 54169332

Frequently Asked Questions

What is the IUPAC name of (4,4-diethoxy-3-silylbutyl) prop-2-enoate?
The IUPAC name of (4,4-diethoxy-3-silylbutyl) prop-2-enoate (CID 174393273) is (4,4-diethoxy-3-silylbutyl) prop-2-enoate.
What is the SMILES notation for (4,4-diethoxy-3-silylbutyl) prop-2-enoate?
The canonical SMILES for (4,4-diethoxy-3-silylbutyl) prop-2-enoate is C=CC(=O)OCCC([SiH3])C(OCC)OCC.
What is the InChIKey of (4,4-diethoxy-3-silylbutyl) prop-2-enoate?
The InChIKey is LVQBKQIITBXSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si/c1-4-10(12)15-8-7-9(16)11(13-5-2)14-6-3/h4,9,11H,1,5-8H2,2-3,16H3.
What are the key properties of (4,4-diethoxy-3-silylbutyl) prop-2-enoate?
(4,4-diethoxy-3-silylbutyl) prop-2-enoate has a molecular weight of 246.38 g/mol, XLogP of 0.66, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-diethoxy-3-silylbutyl) prop-2-enoate is sourced from PubChem (CID 174393273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).