diethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate

C14H26O4Si — CID 10989801

IUPACdiethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate
SMILESC=C(CC(C(=O)OCC)C(=O)OCC)C[Si](C)(C)C
InChIInChI=1S/C14H26O4Si/c1-7-17-13(15)12(14(16)18-8-2)9-11(3)10-19(4,5)6/h12H,3,7-10H2,1-2,4-6H3
InChIKeyNCBWXOBJLWZFFP-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.01
Rot. Bonds8

About diethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate

diethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate (PubChem CID 10989801) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is diethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate
PubChem CID10989801
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Namediethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate
SMILESC=C(CC(C(=O)OCC)C(=O)OCC)C[Si](C)(C)C
InChIInChI=1S/C14H26O4Si/c1-7-17-13(15)12(14(16)18-8-2)9-11(3)10-19(4,5)6/h12H,3,7-10H2,1-2,4-6H3
InChIKeyNCBWXOBJLWZFFP-UHFFFAOYSA-N
XLogP3.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Diethyl 2-(3-butenyl)malonate
CID 594682
Diethyl 2-(2-methylallyl)malonate
CID 240540
Diethyl 2-(3-methylbut-3-enyl)propanedioate
CID 10751827
Diethyl 2-(3-methylbuta-1,3-dien-2-yl)propanedioate
CID 134949396
diethyl 2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate
CID 12741310
Dimethyl 2-methyl-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate
CID 102262887
diethyl 2-[(Z)-3-trimethylsilylprop-2-enyl]propanedioate
CID 134981047
Diethyl 2-(But-3-enyl)propanedioate
CID 91751171
Dimethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate
CID 12540003
Diethyl 2-(2-methylidenebut-3-enyl)propanedioate
CID 13349177
Diethyl 2-methyl-2-(2-methylprop-2-enyl)propanedioate
CID 12681955
Butane;diethyl 2-but-3-enylpropanedioate
CID 18793367

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate?
The IUPAC name of diethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate (CID 10989801) is diethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate.
What is the SMILES notation for diethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate?
The canonical SMILES for diethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate is C=C(CC(C(=O)OCC)C(=O)OCC)C[Si](C)(C)C.
What is the InChIKey of diethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate?
The InChIKey is NCBWXOBJLWZFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-7-17-13(15)12(14(16)18-8-2)9-11(3)10-19(4,5)6/h12H,3,7-10H2,1-2,4-6H3.
What are the key properties of diethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate?
diethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate has a molecular weight of 286.44 g/mol, XLogP of 3.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate is sourced from PubChem (CID 10989801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).