dimethyl 2-pent-4-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate

C16H26O4Si — CID 11141442

IUPACdimethyl 2-pent-4-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate
SMILESC=CCCCC(CC#C[Si](C)(C)C)(C(=O)OC)C(=O)OC
InChIInChI=1S/C16H26O4Si/c1-7-8-9-11-16(14(17)19-2,15(18)20-3)12-10-13-21(4,5)6/h7H,1,8-9,11-12H2,2-6H3
InChIKeySZFSZFFEAGEXBO-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.95
Rot. Bonds7

About dimethyl 2-pent-4-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate

dimethyl 2-pent-4-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate (PubChem CID 11141442) has the molecular formula C16H26O4Si and a molecular weight of 310.47 g/mol. Its IUPAC name is dimethyl 2-pent-4-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate.

Molecular Properties

Compound Namedimethyl 2-pent-4-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate
PubChem CID11141442
Molecular FormulaC16H26O4Si
Molecular Weight310.47 g/mol
Exact Mass310.16
IUPAC Namedimethyl 2-pent-4-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate
SMILESC=CCCCC(CC#C[Si](C)(C)C)(C(=O)OC)C(=O)OC
InChIInChI=1S/C16H26O4Si/c1-7-8-9-11-16(14(17)19-2,15(18)20-3)12-10-13-21(4,5)6/h7H,1,8-9,11-12H2,2-6H3
InChIKeySZFSZFFEAGEXBO-UHFFFAOYSA-N
XLogP2.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl 2-(2-methylbut-3-enyl)-2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 102377340
dimethyl 2-but-2-ynyl-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate
CID 102455543
Dimethyl 2-but-2-ynyl-2-(2-methylidenebutyl)propanedioate
CID 11196073
Diethyl 2-prop-2-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 13866733
Dimethyl 2-deca-2,3-dienyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 101219653
Dimethyl 2-but-3-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 102377336
Dimethyl 2-prop-2-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 102377345
Diethyl 2-prop-2-ynyl-2-[2-(trimethylsilylmethyl)prop-2-enyl]propanedioate
CID 134887035
Dimethyl 2-butyl-2-prop-2-enylpropanedioate
CID 45114041
Diethyl 2-but-3-enyl-2-pent-4-ynylpropanedioate
CID 140075400
Diethyl 2-pent-4-enyl-2-pent-4-en-2-ynylpropanedioate
CID 11197111
trans-diethyl (2R,3S)-2-ethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate
CID 11602062

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-pent-4-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate?
The IUPAC name of dimethyl 2-pent-4-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate (CID 11141442) is dimethyl 2-pent-4-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate.
What is the SMILES notation for dimethyl 2-pent-4-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate?
The canonical SMILES for dimethyl 2-pent-4-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate is C=CCCCC(CC#C[Si](C)(C)C)(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-pent-4-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate?
The InChIKey is SZFSZFFEAGEXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4Si/c1-7-8-9-11-16(14(17)19-2,15(18)20-3)12-10-13-21(4,5)6/h7H,1,8-9,11-12H2,2-6H3.
What are the key properties of dimethyl 2-pent-4-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate?
dimethyl 2-pent-4-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate has a molecular weight of 310.47 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-pent-4-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate is sourced from PubChem (CID 11141442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).