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

C20H36O4Si — CID 11089939

IUPACtrans-diethyl (2S,3R)-2-hexyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate
SMILESCCCCCC[C@H]1[C@H](/C=C/[Si](C)(C)C)C1(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C20H36O4Si/c1-7-10-11-12-13-16-17(14-15-25(4,5)6)20(16,18(21)23-8-2)19(22)24-9-3/h14-17H,7-13H2,1-6H3/b15-14+/t16-,17-/m0/s1
InChIKeyJEEDYWPFDPXDSX-WLFRDLTRSA-N
MW368.59 g/mol
LogP4.75
Rot. Bonds11

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

trans-diethyl (2S,3R)-2-hexyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate (PubChem CID 11089939) has the molecular formula C20H36O4Si and a molecular weight of 368.59 g/mol. Its IUPAC name is trans-diethyl (2S,3R)-2-hexyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Nametrans-diethyl (2S,3R)-2-hexyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate
PubChem CID11089939
Molecular FormulaC20H36O4Si
Molecular Weight368.59 g/mol
Exact Mass368.24
IUPAC Nametrans-diethyl (2S,3R)-2-hexyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate
SMILESCCCCCC[C@H]1[C@H](/C=C/[Si](C)(C)C)C1(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C20H36O4Si/c1-7-10-11-12-13-16-17(14-15-25(4,5)6)20(16,18(21)23-8-2)19(22)24-9-3/h14-17H,7-13H2,1-6H3/b15-14+/t16-,17-/m0/s1
InChIKeyJEEDYWPFDPXDSX-WLFRDLTRSA-N
XLogP4.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 54.75
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'}

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Related Compounds

Ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilyloxyhept-6-enoate
CID 10893618
diethyl 2-[(3E)-3-(trimethylsilylmethylidene)nonan-2-yl]propanedioate
CID 10992304
diethyl 1-[(Z)-2-trimethylsilylethenyl]bicyclo[3.1.0]hexane-3,3-dicarboxylate
CID 102078823
dimethyl 2-[(E)-1-trimethylsilyloct-1-en-3-yl]propanedioate
CID 134900427
diethyl 2-[(4S)-tetradeca-1,2,13-trien-4-yl]propanedioate
CID 134947379
Diethyl 2-dec-9-enyl-2-pent-4-enylpropanedioate
CID 135011476
cis-diethyl (2S,5S)-2-methyl-5-(3-trimethylsilylprop-1-en-2-yl)cyclopentane-1,1-dicarboxylate
CID 164685473
Propanedioic acid, (1,1-dimethyl-5-hexenyl)-, diethyl ester
CID 594712
Diethyl allyl(nonyl)malonate
CID 10496387
Diethyl 2-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enyl]propanedioate
CID 19904697
Diethyl 2-[7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl]propanedioate
CID 53878703
Diethyl 2-pentan-2-yl-2-pent-4-enylpropanedioate
CID 54545582

Frequently Asked Questions

What is the IUPAC name of trans-diethyl (2S,3R)-2-hexyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate?
The IUPAC name of trans-diethyl (2S,3R)-2-hexyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate (CID 11089939) is trans-diethyl (2S,3R)-2-hexyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate.
What is the SMILES notation for trans-diethyl (2S,3R)-2-hexyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate?
The canonical SMILES for trans-diethyl (2S,3R)-2-hexyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate is CCCCCC[C@H]1[C@H](/C=C/[Si](C)(C)C)C1(C(=O)OCC)C(=O)OCC.
What is the InChIKey of trans-diethyl (2S,3R)-2-hexyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate?
The InChIKey is JEEDYWPFDPXDSX-WLFRDLTRSA-N. The full InChI is InChI=1S/C20H36O4Si/c1-7-10-11-12-13-16-17(14-15-25(4,5)6)20(16,18(21)23-8-2)19(22)24-9-3/h14-17H,7-13H2,1-6H3/b15-14+/t16-,17-/m0/s1.
What are the key properties of trans-diethyl (2S,3R)-2-hexyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate?
trans-diethyl (2S,3R)-2-hexyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate has a molecular weight of 368.59 g/mol, XLogP of 4.75, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-diethyl (2S,3R)-2-hexyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 11089939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).