diethyl 2-[(1S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]propanedioate

C19H34O5Si — CID 11111455

IUPACdiethyl 2-[(1S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]propanedioate
SMILESCCOC(=O)C(C(=O)OCC)[C@@H]1C=C[C@@H](CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H34O5Si/c1-8-22-17(20)16(18(21)23-9-2)15-11-10-14(12-15)13-24-25(6,7)19(3,4)5/h10-11,14-16H,8-9,12-13H2,1-7H3/t14-,15-/m1/s1
InChIKeyAEXCQUXKVWRCOY-HUUCEWRRSA-N
MW370.56 g/mol
LogP3.94
Rot. Bonds8

About diethyl 2-[(1S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]propanedioate

diethyl 2-[(1S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]propanedioate (PubChem CID 11111455) has the molecular formula C19H34O5Si and a molecular weight of 370.56 g/mol. Its IUPAC name is diethyl 2-[(1S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[(1S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]propanedioate
PubChem CID11111455
Molecular FormulaC19H34O5Si
Molecular Weight370.56 g/mol
Exact Mass370.22
IUPAC Namediethyl 2-[(1S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]propanedioate
SMILESCCOC(=O)C(C(=O)OCC)[C@@H]1C=C[C@@H](CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H34O5Si/c1-8-22-17(20)16(18(21)23-9-2)15-11-10-14(12-15)13-24-25(6,7)19(3,4)5/h10-11,14-16H,8-9,12-13H2,1-7H3/t14-,15-/m1/s1
InChIKeyAEXCQUXKVWRCOY-HUUCEWRRSA-N
XLogP3.94
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 53.94
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-[(1S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]propanedioate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(1S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]propanedioate?
The IUPAC name of diethyl 2-[(1S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]propanedioate (CID 11111455) is diethyl 2-[(1S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]propanedioate.
What is the SMILES notation for diethyl 2-[(1S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]propanedioate?
The canonical SMILES for diethyl 2-[(1S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]propanedioate is CCOC(=O)C(C(=O)OCC)[C@@H]1C=C[C@@H](CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of diethyl 2-[(1S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]propanedioate?
The InChIKey is AEXCQUXKVWRCOY-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H34O5Si/c1-8-22-17(20)16(18(21)23-9-2)15-11-10-14(12-15)13-24-25(6,7)19(3,4)5/h10-11,14-16H,8-9,12-13H2,1-7H3/t14-,15-/m1/s1.
What are the key properties of diethyl 2-[(1S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]propanedioate?
diethyl 2-[(1S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]propanedioate has a molecular weight of 370.56 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(1S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl]propanedioate is sourced from PubChem (CID 11111455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).