trans-diethyl (2R,3S)-2-ethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate

C16H28O4Si — CID 11602062

IUPACtrans-diethyl (2R,3S)-2-ethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)[C@H](/C=C/[Si](C)(C)C)[C@H]1CC
InChIInChI=1S/C16H28O4Si/c1-7-12-13(10-11-21(4,5)6)16(12,14(17)19-8-2)15(18)20-9-3/h10-13H,7-9H2,1-6H3/b11-10+/t12-,13-/m1/s1
InChIKeyUOTHSKJWUGPALP-HRFIDBLHSA-N
MW312.48 g/mol
LogP3.19
Rot. Bonds7

About trans-diethyl (2R,3S)-2-ethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate

trans-diethyl (2R,3S)-2-ethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate (PubChem CID 11602062) has the molecular formula C16H28O4Si and a molecular weight of 312.48 g/mol. Its IUPAC name is trans-diethyl (2R,3S)-2-ethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Nametrans-diethyl (2R,3S)-2-ethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate
PubChem CID11602062
Molecular FormulaC16H28O4Si
Molecular Weight312.48 g/mol
Exact Mass312.18
IUPAC Nametrans-diethyl (2R,3S)-2-ethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)[C@H](/C=C/[Si](C)(C)C)[C@H]1CC
InChIInChI=1S/C16H28O4Si/c1-7-12-13(10-11-21(4,5)6)16(12,14(17)19-8-2)15(18)20-9-3/h10-13H,7-9H2,1-6H3/b11-10+/t12-,13-/m1/s1
InChIKeyUOTHSKJWUGPALP-HRFIDBLHSA-N
XLogP3.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.19
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

Diethyl (1-methylbutyl)allylmalonate
CID 95451
Dimethyl 2-pent-4-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 11141442
diethyl 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-en-3-yl]propanedioate
CID 24881699
dimethyl 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-enyl]cyclopropane-1,1-dicarboxylate
CID 102143484
diethyl (2R)-2-prop-1-en-2-ylcyclopropane-1,1-dicarboxylate
CID 154718632
Diethyl (2R)-2-pentanyl(2-propen-1-yl)propanedioate
CID 21818162
trans-diethyl (2R,3R)-2-ethenyl-3-ethylcyclopropane-1,1-dicarboxylate
CID 11601163
diethyl (4E)-3-methylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 13866736
1-Allyl-2,2-dicarboethoxycyclopropane
CID 21891767
Diethyl 2-(2-methylhex-5-en-2-yl)propanedioate
CID 53341664
Diethyl 2-(1-allylcyclopropyl)malonate
CID 67259552
Dipentyl 2-ethenylcyclopropane-1,1-dicarboxylate
CID 70011659

Frequently Asked Questions

What is the IUPAC name of trans-diethyl (2R,3S)-2-ethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate?
The IUPAC name of trans-diethyl (2R,3S)-2-ethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate (CID 11602062) is trans-diethyl (2R,3S)-2-ethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate.
What is the SMILES notation for trans-diethyl (2R,3S)-2-ethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate?
The canonical SMILES for trans-diethyl (2R,3S)-2-ethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)[C@H](/C=C/[Si](C)(C)C)[C@H]1CC.
What is the InChIKey of trans-diethyl (2R,3S)-2-ethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate?
The InChIKey is UOTHSKJWUGPALP-HRFIDBLHSA-N. The full InChI is InChI=1S/C16H28O4Si/c1-7-12-13(10-11-21(4,5)6)16(12,14(17)19-8-2)15(18)20-9-3/h10-13H,7-9H2,1-6H3/b11-10+/t12-,13-/m1/s1.
What are the key properties of trans-diethyl (2R,3S)-2-ethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate?
trans-diethyl (2R,3S)-2-ethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate has a molecular weight of 312.48 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-diethyl (2R,3S)-2-ethyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 11602062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).