dimethyl 2-[(E)-3-trimethylsilylprop-1-enyl]cyclopropane-1,1-dicarboxylate

C13H22O4Si — CID 135042043

IUPACdimethyl 2-[(E)-3-trimethylsilylprop-1-enyl]cyclopropane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC1/C=C/C[Si](C)(C)C
InChIInChI=1S/C13H22O4Si/c1-16-11(14)13(12(15)17-2)9-10(13)7-6-8-18(3,4)5/h6-7,10H,8-9H2,1-5H3/b7-6+
InChIKeyILRBJJWYGOWEGO-VOTSOKGWSA-N
MW270.40 g/mol
LogP2.23
Rot. Bonds5

About dimethyl 2-[(E)-3-trimethylsilylprop-1-enyl]cyclopropane-1,1-dicarboxylate

dimethyl 2-[(E)-3-trimethylsilylprop-1-enyl]cyclopropane-1,1-dicarboxylate (PubChem CID 135042043) has the molecular formula C13H22O4Si and a molecular weight of 270.40 g/mol. Its IUPAC name is dimethyl 2-[(E)-3-trimethylsilylprop-1-enyl]cyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[(E)-3-trimethylsilylprop-1-enyl]cyclopropane-1,1-dicarboxylate
PubChem CID135042043
Molecular FormulaC13H22O4Si
Molecular Weight270.40 g/mol
Exact Mass270.13
IUPAC Namedimethyl 2-[(E)-3-trimethylsilylprop-1-enyl]cyclopropane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC1/C=C/C[Si](C)(C)C
InChIInChI=1S/C13H22O4Si/c1-16-11(14)13(12(15)17-2)9-10(13)7-6-8-18(3,4)5/h6-7,10H,8-9H2,1-5H3/b7-6+
InChIKeyILRBJJWYGOWEGO-VOTSOKGWSA-N
XLogP2.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
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

dimethyl 2-[(E)-3-cyclopropylprop-2-enyl]-2-(2-methylprop-2-enyl)propanedioate
CID 10978399
dimethyl 2-methyl-3-[(1E)-3-methylbuta-1,3-dienyl]cyclopropane-1,1-dicarboxylate
CID 12772403
dimethyl 2-[(E)-3-cyclopropyl-2-methylprop-2-enyl]-2-prop-2-enylpropanedioate
CID 101945243
dimethyl 2-but-3-enyl-2-[(E)-3-cyclopropylprop-2-enyl]propanedioate
CID 101945244
Dimethyl 2-prop-1-enylcyclopropane-1,1-dicarboxylate
CID 556403
diethyl (2R)-2-[(E)-prop-1-enyl]cyclopropane-1,1-dicarboxylate
CID 10036640
dimethyl 2-[(E)-4-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]but-2-enyl]propanedioate
CID 10950262
dimethyl 2-[(1E)-buta-1,3-dienyl]cyclopropane-1,1-dicarboxylate
CID 11095879
dimethyl 2-[(1E)-3-methylbuta-1,3-dienyl]cyclopropane-1,1-dicarboxylate
CID 13813446
dimethyl 2-[(1E,3E)-penta-1,3-dienyl]cyclopropane-1,1-dicarboxylate
CID 14023124
diethyl 2-[(E)-4-cyclopropylbut-3-en-2-yl]-2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 24808269
Dimethyl 2-(buta-1,3-dien-1-yl)cyclopropane-1,1-dicarboxylate
CID 71330691

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(E)-3-trimethylsilylprop-1-enyl]cyclopropane-1,1-dicarboxylate?
The IUPAC name of dimethyl 2-[(E)-3-trimethylsilylprop-1-enyl]cyclopropane-1,1-dicarboxylate (CID 135042043) is dimethyl 2-[(E)-3-trimethylsilylprop-1-enyl]cyclopropane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 2-[(E)-3-trimethylsilylprop-1-enyl]cyclopropane-1,1-dicarboxylate?
The canonical SMILES for dimethyl 2-[(E)-3-trimethylsilylprop-1-enyl]cyclopropane-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)CC1/C=C/C[Si](C)(C)C.
What is the InChIKey of dimethyl 2-[(E)-3-trimethylsilylprop-1-enyl]cyclopropane-1,1-dicarboxylate?
The InChIKey is ILRBJJWYGOWEGO-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H22O4Si/c1-16-11(14)13(12(15)17-2)9-10(13)7-6-8-18(3,4)5/h6-7,10H,8-9H2,1-5H3/b7-6+.
What are the key properties of dimethyl 2-[(E)-3-trimethylsilylprop-1-enyl]cyclopropane-1,1-dicarboxylate?
dimethyl 2-[(E)-3-trimethylsilylprop-1-enyl]cyclopropane-1,1-dicarboxylate has a molecular weight of 270.40 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(E)-3-trimethylsilylprop-1-enyl]cyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 135042043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).