dimethyl 2-(4-methylpenta-2,3-dienyl)-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate

C17H28O4Si — CID 101256703

IUPACdimethyl 2-(4-methylpenta-2,3-dienyl)-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate
SMILESCOC(=O)C(CC=C=C(C)C)(C/C=C/[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C17H28O4Si/c1-14(2)10-8-11-17(15(18)20-3,16(19)21-4)12-9-13-22(5,6)7/h8-9,13H,11-12H2,1-7H3/b13-9+
InChIKeyRDCWXSGGLUZOIU-UKTHLTGXSA-N
MW324.49 g/mol
LogP3.65
Rot. Bonds7

About dimethyl 2-(4-methylpenta-2,3-dienyl)-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate

dimethyl 2-(4-methylpenta-2,3-dienyl)-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate (PubChem CID 101256703) has the molecular formula C17H28O4Si and a molecular weight of 324.49 g/mol. Its IUPAC name is dimethyl 2-(4-methylpenta-2,3-dienyl)-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-(4-methylpenta-2,3-dienyl)-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate
PubChem CID101256703
Molecular FormulaC17H28O4Si
Molecular Weight324.49 g/mol
Exact Mass324.18
IUPAC Namedimethyl 2-(4-methylpenta-2,3-dienyl)-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate
SMILESCOC(=O)C(CC=C=C(C)C)(C/C=C/[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C17H28O4Si/c1-14(2)10-8-11-17(15(18)20-3,16(19)21-4)12-9-13-22(5,6)7/h8-9,13H,11-12H2,1-7H3/b13-9+
InChIKeyRDCWXSGGLUZOIU-UKTHLTGXSA-N
XLogP3.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.65
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'}

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Related Compounds

Dimethyl diallylmalonate
CID 3084608
Dimethyl 2-(2-methylbut-3-enyl)-2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 102377340
Diethyl 2-[4,4-difluoro-2-tri(propan-2-yl)silylbuta-2,3-dienyl]-2-prop-2-enylpropanedioate
CID 101186854
dimethyl 2-[(E)-3-methyl-4-trimethylsilylbut-2-enyl]-2-prop-2-ynylpropanedioate
CID 11243850
Dimethyl 2-(4-methylpenta-2,3-dienyl)-2-prop-2-enylpropanedioate
CID 11311302
Tetraethyl 12-trimethylsilyldodec-1-en-6,11-diyne-3,3,8,8-tetracarboxylate
CID 12128831
Diethyl 2-prop-2-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 13866733
dimethyl 2-[(E)-but-2-enyl]-2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 14911451
Dimethyl 2,2-bis(4-methylpenta-2,3-dienyl)propanedioate
CID 16679745
dimethyl 2-prop-2-enyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate
CID 101121422
Dimethyl 2-methyl-2-(5-trimethylsilylpenta-2,3-dienyl)propanedioate
CID 101128127
Dimethyl 2-(3-methylbut-2-enyl)-2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 101546112

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(4-methylpenta-2,3-dienyl)-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate?
The IUPAC name of dimethyl 2-(4-methylpenta-2,3-dienyl)-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate (CID 101256703) is dimethyl 2-(4-methylpenta-2,3-dienyl)-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate.
What is the SMILES notation for dimethyl 2-(4-methylpenta-2,3-dienyl)-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate?
The canonical SMILES for dimethyl 2-(4-methylpenta-2,3-dienyl)-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate is COC(=O)C(CC=C=C(C)C)(C/C=C/[Si](C)(C)C)C(=O)OC.
What is the InChIKey of dimethyl 2-(4-methylpenta-2,3-dienyl)-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate?
The InChIKey is RDCWXSGGLUZOIU-UKTHLTGXSA-N. The full InChI is InChI=1S/C17H28O4Si/c1-14(2)10-8-11-17(15(18)20-3,16(19)21-4)12-9-13-22(5,6)7/h8-9,13H,11-12H2,1-7H3/b13-9+.
What are the key properties of dimethyl 2-(4-methylpenta-2,3-dienyl)-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate?
dimethyl 2-(4-methylpenta-2,3-dienyl)-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate has a molecular weight of 324.49 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(4-methylpenta-2,3-dienyl)-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate is sourced from PubChem (CID 101256703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).