dipropyl (2R,3S)-2-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]butanedioate

C18H32O4Si — CID 134980063

IUPACdipropyl (2R,3S)-2-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]butanedioate
SMILESC=C[C@@H](C(=O)OCCC)[C@H](/C=C/C[Si](C)(C)C)C(=O)OCCC
InChIInChI=1S/C18H32O4Si/c1-7-12-21-17(19)15(9-3)16(18(20)22-13-8-2)11-10-14-23(4,5)6/h9-11,15-16H,3,7-8,12-14H2,1-2,4-6H3/b11-10+/t15-,16+/m1/s1
InChIKeyAZASXCROQBCIGF-PCCNWKQFSA-N
MW340.54 g/mol
LogP4.21
Rot. Bonds11

About dipropyl (2R,3S)-2-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]butanedioate

dipropyl (2R,3S)-2-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]butanedioate (PubChem CID 134980063) has the molecular formula C18H32O4Si and a molecular weight of 340.54 g/mol. Its IUPAC name is dipropyl (2R,3S)-2-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]butanedioate.

Molecular Properties

Compound Namedipropyl (2R,3S)-2-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]butanedioate
PubChem CID134980063
Molecular FormulaC18H32O4Si
Molecular Weight340.54 g/mol
Exact Mass340.21
IUPAC Namedipropyl (2R,3S)-2-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]butanedioate
SMILESC=C[C@@H](C(=O)OCCC)[C@H](/C=C/C[Si](C)(C)C)C(=O)OCCC
InChIInChI=1S/C18H32O4Si/c1-7-12-21-17(19)15(9-3)16(18(20)22-13-8-2)11-10-14-23(4,5)6/h9-11,15-16H,3,7-8,12-14H2,1-2,4-6H3/b11-10+/t15-,16+/m1/s1
InChIKeyAZASXCROQBCIGF-PCCNWKQFSA-N
XLogP4.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dipropyl (2R,3S)-2-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]butanedioate?
The IUPAC name of dipropyl (2R,3S)-2-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]butanedioate (CID 134980063) is dipropyl (2R,3S)-2-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]butanedioate.
What is the SMILES notation for dipropyl (2R,3S)-2-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]butanedioate?
The canonical SMILES for dipropyl (2R,3S)-2-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]butanedioate is C=C[C@@H](C(=O)OCCC)[C@H](/C=C/C[Si](C)(C)C)C(=O)OCCC.
What is the InChIKey of dipropyl (2R,3S)-2-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]butanedioate?
The InChIKey is AZASXCROQBCIGF-PCCNWKQFSA-N. The full InChI is InChI=1S/C18H32O4Si/c1-7-12-21-17(19)15(9-3)16(18(20)22-13-8-2)11-10-14-23(4,5)6/h9-11,15-16H,3,7-8,12-14H2,1-2,4-6H3/b11-10+/t15-,16+/m1/s1.
What are the key properties of dipropyl (2R,3S)-2-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]butanedioate?
dipropyl (2R,3S)-2-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]butanedioate has a molecular weight of 340.54 g/mol, XLogP of 4.21, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl (2R,3S)-2-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]butanedioate is sourced from PubChem (CID 134980063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).