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

C12H22O4Si — CID 12540003

IUPACdimethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate
SMILESC=C(CC(C(=O)OC)C(=O)OC)C[Si](C)(C)C
InChIInChI=1S/C12H22O4Si/c1-9(8-17(4,5)6)7-10(11(13)15-2)12(14)16-3/h10H,1,7-8H2,2-6H3
InChIKeyXZENEUHEQQZAJN-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.23
Rot. Bonds6

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

dimethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate (PubChem CID 12540003) has the molecular formula C12H22O4Si and a molecular weight of 258.39 g/mol. Its IUPAC name is dimethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate
PubChem CID12540003
Molecular FormulaC12H22O4Si
Molecular Weight258.39 g/mol
Exact Mass258.13
IUPAC Namedimethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate
SMILESC=C(CC(C(=O)OC)C(=O)OC)C[Si](C)(C)C
InChIInChI=1S/C12H22O4Si/c1-9(8-17(4,5)6)7-10(11(13)15-2)12(14)16-3/h10H,1,7-8H2,2-6H3
InChIKeyXZENEUHEQQZAJN-UHFFFAOYSA-N
XLogP2.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.23
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-(2-methylallyl)malonate
CID 240540
Propanedioic acid, (2-methyl-2-propenyl)-, dimethyl ester
CID 565665
Dimethyl 2-(2-ethyl-4-trimethylsilylbuta-2,3-dienyl)-2-methylpropanedioate
CID 102262881
Dimethyl 2-methyl-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate
CID 102262887
Dimethyl 2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate
CID 164686935
Dimethyl 2-(2-methylhepta-2,3-dienyl)propanedioate
CID 11791306
Dimethyl (2-methylbuta-2,3-dien-1-yl)propanedioate
CID 13865036
Ethyl 2-methyl-4-(trimethylsilylmethyl)pent-4-enoate
CID 10680893
Dimethyl 2-(2-methylpent-1-en-3-yl)propanedioate
CID 10822516
Methyl 2-acetyl-4-(trimethylsilylmethyl)pent-4-enoate
CID 10857666
Diethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate
CID 10989801
Dimethyl 2-(3-methylbut-3-en-2-yl)propanedioate
CID 11052633

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate?
The IUPAC name of dimethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate (CID 12540003) is dimethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate.
What is the SMILES notation for dimethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate?
The canonical SMILES for dimethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate is C=C(CC(C(=O)OC)C(=O)OC)C[Si](C)(C)C.
What is the InChIKey of dimethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate?
The InChIKey is XZENEUHEQQZAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4Si/c1-9(8-17(4,5)6)7-10(11(13)15-2)12(14)16-3/h10H,1,7-8H2,2-6H3.
What are the key properties of dimethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate?
dimethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate has a molecular weight of 258.39 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate is sourced from PubChem (CID 12540003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).