diethyl 2-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]prop-2-enyl]propanedioate

C21H36O5Si — CID 19904702

IUPACdiethyl 2-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]prop-2-enyl]propanedioate
SMILESC=CC(C1C=CC(O[Si](C)(C)C(C)(C)C)C1)C(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C21H36O5Si/c1-9-17(18(19(22)24-10-2)20(23)25-11-3)15-12-13-16(14-15)26-27(7,8)21(4,5)6/h9,12-13,15-18H,1,10-11,14H2,2-8H3
InChIKeyAGOPQEWLZKFGJN-UHFFFAOYSA-N
MW396.60 g/mol
LogP4.50
Rot. Bonds9

About diethyl 2-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]prop-2-enyl]propanedioate

diethyl 2-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]prop-2-enyl]propanedioate (PubChem CID 19904702) has the molecular formula C21H36O5Si and a molecular weight of 396.60 g/mol. Its IUPAC name is diethyl 2-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]prop-2-enyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]prop-2-enyl]propanedioate
PubChem CID19904702
Molecular FormulaC21H36O5Si
Molecular Weight396.60 g/mol
Exact Mass396.23
IUPAC Namediethyl 2-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]prop-2-enyl]propanedioate
SMILESC=CC(C1C=CC(O[Si](C)(C)C(C)(C)C)C1)C(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C21H36O5Si/c1-9-17(18(19(22)24-10-2)20(23)25-11-3)15-12-13-16(14-15)26-27(7,8)21(4,5)6/h9,12-13,15-18H,1,10-11,14H2,2-8H3
InChIKeyAGOPQEWLZKFGJN-UHFFFAOYSA-N
XLogP4.50
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.60
LogP ≤ 54.50
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'}

Analyze diethyl 2-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]prop-2-enyl]propanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (1S,2S,3R)-2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-1-enyl]-6-oxo-3-propan-2-ylcyclohexane-1-carboxylate
CID 10885746
Methyl (e)-6-(3-((butyldimethylsilyl)oxy)oct-1-en-1-yl)-4-oxospiro[2.4]heptane-5-carboxylate
CID 129855464
methyl (Z)-10-[tert-butyl(dimethyl)silyl]oxy-3-oxo-6-propan-2-yldec-7-enoate
CID 134833524
Dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanedioate
CID 134901574
ethyl 2-[(1S,5R)-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-yl]acetate
CID 134916264
methyl 5-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3-oxopentanoate
CID 134918902
(1S,2R,3E,7E,10S,12S)-10-acetyl-2-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyl-12-prop-1-en-2-ylcyclododeca-3,7-diene-1-carboxylic acid
CID 134946552
ethyl 2-[(1S,5R)-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]cyclopent-2-en-1-yl]acetate
CID 135082717
Diethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-2-(2-methylprop-2-enyl)propanedioate
CID 176435360
2-[(2R,3R,6S)-6-[(E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enyl]-3-methyloxan-2-yl]acetic acid
CID 11416998
tert-butyl 2-[(1S,5R)-5-[(1R,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropyl]cyclopent-2-en-1-yl]acetate
CID 71479943
tert-butyl 2-[(1R,5S)-5-[(1R,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropyl]cyclopent-2-en-1-yl]acetate
CID 71479945

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]prop-2-enyl]propanedioate?
The IUPAC name of diethyl 2-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]prop-2-enyl]propanedioate (CID 19904702) is diethyl 2-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]prop-2-enyl]propanedioate.
What is the SMILES notation for diethyl 2-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]prop-2-enyl]propanedioate?
The canonical SMILES for diethyl 2-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]prop-2-enyl]propanedioate is C=CC(C1C=CC(O[Si](C)(C)C(C)(C)C)C1)C(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]prop-2-enyl]propanedioate?
The InChIKey is AGOPQEWLZKFGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O5Si/c1-9-17(18(19(22)24-10-2)20(23)25-11-3)15-12-13-16(14-15)26-27(7,8)21(4,5)6/h9,12-13,15-18H,1,10-11,14H2,2-8H3.
What are the key properties of diethyl 2-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]prop-2-enyl]propanedioate?
diethyl 2-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]prop-2-enyl]propanedioate has a molecular weight of 396.60 g/mol, XLogP of 4.50, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]prop-2-enyl]propanedioate is sourced from PubChem (CID 19904702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).