diethyl 4-propan-2-ylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate

C17H30O4Si — CID 552787

IUPACdiethyl 4-propan-2-ylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate
SMILESCCOC(=O)C1CC(=C(C)C)C([Si](C)(C)C)C1C(=O)OCC
InChIInChI=1S/C17H30O4Si/c1-8-20-16(18)13-10-12(11(3)4)15(22(5,6)7)14(13)17(19)21-9-2/h13-15H,8-10H2,1-7H3
InChIKeyMWRNHMYKVNHFTQ-UHFFFAOYSA-N
MW326.51 g/mol
LogP3.79
Rot. Bonds5

About diethyl 4-propan-2-ylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate

diethyl 4-propan-2-ylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate (PubChem CID 552787) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is diethyl 4-propan-2-ylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-propan-2-ylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate
PubChem CID552787
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Namediethyl 4-propan-2-ylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate
SMILESCCOC(=O)C1CC(=C(C)C)C([Si](C)(C)C)C1C(=O)OCC
InChIInChI=1S/C17H30O4Si/c1-8-20-16(18)13-10-12(11(3)4)15(22(5,6)7)14(13)17(19)21-9-2/h13-15H,8-10H2,1-7H3
InChIKeyMWRNHMYKVNHFTQ-UHFFFAOYSA-N
XLogP3.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze diethyl 4-propan-2-ylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate 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

Diethyl 4-ethylidene-cyclopentane-1,2-dicarboxylate
CID 564797
Cyclopentane-1,2-dicarboxylic acid, 4-methylene-3-trimethylsilyl-, dimethyl ester
CID 552558
Cyclopentane-trans-1,2-dicarboxylic acid, 4-methylene-3-trimethylsilyl-, diethyl ester
CID 552561
4-Cyclohexene-trans-1,2-dicarboxylic acid, 4-trimethylsilylmethyl-, diethyl ester
CID 552669
Diethyl 3-methyl-4-methylene-5-(trimethylsilyl)-1,2-cyclopentanedicarboxylate
CID 552673
4-Cyclohexene-1,2-dicarboxylic acid, 5-methyl-4-trimethylsilylmethyl-, diethyl ester
CID 552785
Diethyl 3,3-dimethyl-4-methylene-5-(trimethylsilyl)-1,2-cyclopentanedicarboxylate
CID 552786
Diethyl 4-[(trimethylsilyl)methylene]-1,2-cyclopentanedicarboxylate
CID 554493
Cyclopentane-1,2-dicarboxylic acid, 4-(trimethylsilyl)methylene-, dimethyl ester, Z-
CID 560614
1,2-Cyclopentanedicarboxylic acid, 4-(1-methylethylidene)-, diethyl ester, trans-
CID 572438
Cyclopentanecarboxylic acid, 4-isopropylidene-2-methoxymethyl-, methyl ester
CID 577956
(E)-1,2-Cyclopentanedicarboxylic acid, 3-methyl-4-(trimethylsilylmethylene),-, diethyl ester
CID 5366456

Frequently Asked Questions

What is the IUPAC name of diethyl 4-propan-2-ylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate?
The IUPAC name of diethyl 4-propan-2-ylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate (CID 552787) is diethyl 4-propan-2-ylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate.
What is the SMILES notation for diethyl 4-propan-2-ylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate?
The canonical SMILES for diethyl 4-propan-2-ylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate is CCOC(=O)C1CC(=C(C)C)C([Si](C)(C)C)C1C(=O)OCC.
What is the InChIKey of diethyl 4-propan-2-ylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate?
The InChIKey is MWRNHMYKVNHFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-8-20-16(18)13-10-12(11(3)4)15(22(5,6)7)14(13)17(19)21-9-2/h13-15H,8-10H2,1-7H3.
What are the key properties of diethyl 4-propan-2-ylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate?
diethyl 4-propan-2-ylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate has a molecular weight of 326.51 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-propan-2-ylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate is sourced from PubChem (CID 552787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).