diethyl 2-[(Z)-3-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]but-2-enyl]-2-prop-2-enylpropanedioate

C23H40O5Si — CID 135073525

IUPACdiethyl 2-[(Z)-3-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]but-2-enyl]-2-prop-2-enylpropanedioate
SMILESC=CCC(C/C=C(/C)C1(O[Si](C)(C)C(C)(C)C)CC1)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C23H40O5Si/c1-10-14-22(19(24)26-11-2,20(25)27-12-3)15-13-18(4)23(16-17-23)28-29(8,9)21(5,6)7/h10,13H,1,11-12,14-17H2,2-9H3/b18-13-
InChIKeyUVJLMVMZMUWRND-AQTBWJFISA-N
MW424.65 g/mol
LogP5.57
Rot. Bonds11

About diethyl 2-[(Z)-3-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]but-2-enyl]-2-prop-2-enylpropanedioate

diethyl 2-[(Z)-3-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]but-2-enyl]-2-prop-2-enylpropanedioate (PubChem CID 135073525) has the molecular formula C23H40O5Si and a molecular weight of 424.65 g/mol. Its IUPAC name is diethyl 2-[(Z)-3-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]but-2-enyl]-2-prop-2-enylpropanedioate.

Molecular Properties

Compound Namediethyl 2-[(Z)-3-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]but-2-enyl]-2-prop-2-enylpropanedioate
PubChem CID135073525
Molecular FormulaC23H40O5Si
Molecular Weight424.65 g/mol
Exact Mass424.26
IUPAC Namediethyl 2-[(Z)-3-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]but-2-enyl]-2-prop-2-enylpropanedioate
SMILESC=CCC(C/C=C(/C)C1(O[Si](C)(C)C(C)(C)C)CC1)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C23H40O5Si/c1-10-14-22(19(24)26-11-2,20(25)27-12-3)15-13-18(4)23(16-17-23)28-29(8,9)21(5,6)7/h10,13H,1,11-12,14-17H2,2-9H3/b18-13-
InChIKeyUVJLMVMZMUWRND-AQTBWJFISA-N
XLogP5.57
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.65
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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 diethyl 2-[(Z)-3-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]but-2-enyl]-2-prop-2-enylpropanedioate?
The IUPAC name of diethyl 2-[(Z)-3-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]but-2-enyl]-2-prop-2-enylpropanedioate (CID 135073525) is diethyl 2-[(Z)-3-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]but-2-enyl]-2-prop-2-enylpropanedioate.
What is the SMILES notation for diethyl 2-[(Z)-3-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]but-2-enyl]-2-prop-2-enylpropanedioate?
The canonical SMILES for diethyl 2-[(Z)-3-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]but-2-enyl]-2-prop-2-enylpropanedioate is C=CCC(C/C=C(/C)C1(O[Si](C)(C)C(C)(C)C)CC1)(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-[(Z)-3-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]but-2-enyl]-2-prop-2-enylpropanedioate?
The InChIKey is UVJLMVMZMUWRND-AQTBWJFISA-N. The full InChI is InChI=1S/C23H40O5Si/c1-10-14-22(19(24)26-11-2,20(25)27-12-3)15-13-18(4)23(16-17-23)28-29(8,9)21(5,6)7/h10,13H,1,11-12,14-17H2,2-9H3/b18-13-.
What are the key properties of diethyl 2-[(Z)-3-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]but-2-enyl]-2-prop-2-enylpropanedioate?
diethyl 2-[(Z)-3-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]but-2-enyl]-2-prop-2-enylpropanedioate has a molecular weight of 424.65 g/mol, XLogP of 5.57, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(Z)-3-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]but-2-enyl]-2-prop-2-enylpropanedioate is sourced from PubChem (CID 135073525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).