dimethyl 2-(3-methylbut-2-enyl)-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate

C19H34O4Si — CID 102455542

IUPACdimethyl 2-(3-methylbut-2-enyl)-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate
SMILESCC[Si](/C=C/CC(CC=C(C)C)(C(=O)OC)C(=O)OC)(CC)CC
InChIInChI=1S/C19H34O4Si/c1-8-24(9-2,10-3)15-11-13-19(17(20)22-6,18(21)23-7)14-12-16(4)5/h11-12,15H,8-10,13-14H2,1-7H3/b15-11+
InChIKeyGAKHVIPJLOWJSM-RVDMUPIBSA-N
MW354.56 g/mol
LogP4.67
Rot. Bonds10

About dimethyl 2-(3-methylbut-2-enyl)-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate

dimethyl 2-(3-methylbut-2-enyl)-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate (PubChem CID 102455542) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is dimethyl 2-(3-methylbut-2-enyl)-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-(3-methylbut-2-enyl)-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate
PubChem CID102455542
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Namedimethyl 2-(3-methylbut-2-enyl)-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate
SMILESCC[Si](/C=C/CC(CC=C(C)C)(C(=O)OC)C(=O)OC)(CC)CC
InChIInChI=1S/C19H34O4Si/c1-8-24(9-2,10-3)15-11-13-19(17(20)22-6,18(21)23-7)14-12-16(4)5/h11-12,15H,8-10,13-14H2,1-7H3/b15-11+
InChIKeyGAKHVIPJLOWJSM-RVDMUPIBSA-N
XLogP4.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 54.67
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)-but-2-enyl]-2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 14911451
dimethyl 2-but-2-ynyl-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate
CID 102455543
dimethyl 2,2-bis[(E)-but-2-enyl]propanedioate
CID 10999126
dimethyl 2-[(E)-3-methyl-4-trimethylsilylbut-2-enyl]-2-prop-2-ynylpropanedioate
CID 11243850
Diethyl 2-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynyl]-2-(2-cyclopropylideneethyl)propanedioate
CID 11463961
Dimethyl 2-(3-methylbut-2-enyl)-2-prop-2-enylpropanedioate
CID 11983815
dimethyl 2-(4-methylpenta-2,3-dienyl)-2-[(2E)-penta-2,4-dienyl]propanedioate
CID 44622895
dimethyl 2-prop-2-enyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate
CID 101121422
dimethyl 2-prop-2-ynyl-2-[(E)-4-trimethylsilylbut-2-enyl]propanedioate
CID 101190473
dimethyl 2-(4-methylpenta-2,3-dienyl)-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate
CID 101256703
Dimethyl 2-(3-methylbut-2-enyl)-2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 101546112
dimethyl 2-[(E)-3-cyclopropylbut-2-enyl]-2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 102121842

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(3-methylbut-2-enyl)-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate?
The IUPAC name of dimethyl 2-(3-methylbut-2-enyl)-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate (CID 102455542) is dimethyl 2-(3-methylbut-2-enyl)-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate.
What is the SMILES notation for dimethyl 2-(3-methylbut-2-enyl)-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate?
The canonical SMILES for dimethyl 2-(3-methylbut-2-enyl)-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate is CC[Si](/C=C/CC(CC=C(C)C)(C(=O)OC)C(=O)OC)(CC)CC.
What is the InChIKey of dimethyl 2-(3-methylbut-2-enyl)-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate?
The InChIKey is GAKHVIPJLOWJSM-RVDMUPIBSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-8-24(9-2,10-3)15-11-13-19(17(20)22-6,18(21)23-7)14-12-16(4)5/h11-12,15H,8-10,13-14H2,1-7H3/b15-11+.
What are the key properties of dimethyl 2-(3-methylbut-2-enyl)-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate?
dimethyl 2-(3-methylbut-2-enyl)-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate has a molecular weight of 354.56 g/mol, XLogP of 4.67, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(3-methylbut-2-enyl)-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate is sourced from PubChem (CID 102455542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).