diethyl 2,2,3-trimethyl-1,4,6,6a-tetrahydrocyclopenta[c]silole-5,5-dicarboxylate

C16H26O4Si — CID 177433137

IUPACdiethyl 2,2,3-trimethyl-1,4,6,6a-tetrahydrocyclopenta[c]silole-5,5-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC2=C(C)[Si](C)(C)CC2C1
InChIInChI=1S/C16H26O4Si/c1-6-19-14(17)16(15(18)20-7-2)8-12-10-21(4,5)11(3)13(12)9-16/h12H,6-10H2,1-5H3
InChIKeyBKMJMHMOUOEOKV-UHFFFAOYSA-N
MW310.47 g/mol
LogP3.09
Rot. Bonds4

About diethyl 2,2,3-trimethyl-1,4,6,6a-tetrahydrocyclopenta[c]silole-5,5-dicarboxylate

diethyl 2,2,3-trimethyl-1,4,6,6a-tetrahydrocyclopenta[c]silole-5,5-dicarboxylate (PubChem CID 177433137) has the molecular formula C16H26O4Si and a molecular weight of 310.47 g/mol. Its IUPAC name is diethyl 2,2,3-trimethyl-1,4,6,6a-tetrahydrocyclopenta[c]silole-5,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2,2,3-trimethyl-1,4,6,6a-tetrahydrocyclopenta[c]silole-5,5-dicarboxylate
PubChem CID177433137
Molecular FormulaC16H26O4Si
Molecular Weight310.47 g/mol
Exact Mass310.16
IUPAC Namediethyl 2,2,3-trimethyl-1,4,6,6a-tetrahydrocyclopenta[c]silole-5,5-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC2=C(C)[Si](C)(C)CC2C1
InChIInChI=1S/C16H26O4Si/c1-6-19-14(17)16(15(18)20-7-2)8-12-10-21(4,5)11(3)13(12)9-16/h12H,6-10H2,1-5H3
InChIKeyBKMJMHMOUOEOKV-UHFFFAOYSA-N
XLogP3.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Diethyl 6-fluoro-7-trimethylsilylbicyclo[3.2.0]hept-6-ene-3,3-dicarboxylate
CID 50901532
Diethyl 6-[tert-butyl(dimethyl)silyl]-5-oxo-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate
CID 9999842
diethyl (3E)-3-ethylidene-4-propa-1,2-dienylcyclopentane-1,1-dicarboxylate
CID 10923888
Diethyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidene-1,3,3a,5-tetrahydropentalene-2,2-dicarboxylate
CID 11223559
dimethyl (3aS,7R)-8-methyl-7-trimethylsilyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 11416432
Dimethyl 3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate
CID 72771884
dimethyl (4E)-3-(2-methylprop-1-enyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 101256704
dimethyl (3aS,7R)-7-trimethylsilyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 101350508
diethyl (3aR)-8-trimethylsilyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 135061608
diethyl (3aS)-8-trimethylsilyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 135062700
Dimethyl 3-methylidene-4-(trimethylsilylmethyl)cyclopentane-1,1-dicarboxylate
CID 135069171
CID 176439213
CID 176439213

Frequently Asked Questions

What is the IUPAC name of diethyl 2,2,3-trimethyl-1,4,6,6a-tetrahydrocyclopenta[c]silole-5,5-dicarboxylate?
The IUPAC name of diethyl 2,2,3-trimethyl-1,4,6,6a-tetrahydrocyclopenta[c]silole-5,5-dicarboxylate (CID 177433137) is diethyl 2,2,3-trimethyl-1,4,6,6a-tetrahydrocyclopenta[c]silole-5,5-dicarboxylate.
What is the SMILES notation for diethyl 2,2,3-trimethyl-1,4,6,6a-tetrahydrocyclopenta[c]silole-5,5-dicarboxylate?
The canonical SMILES for diethyl 2,2,3-trimethyl-1,4,6,6a-tetrahydrocyclopenta[c]silole-5,5-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CC2=C(C)[Si](C)(C)CC2C1.
What is the InChIKey of diethyl 2,2,3-trimethyl-1,4,6,6a-tetrahydrocyclopenta[c]silole-5,5-dicarboxylate?
The InChIKey is BKMJMHMOUOEOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4Si/c1-6-19-14(17)16(15(18)20-7-2)8-12-10-21(4,5)11(3)13(12)9-16/h12H,6-10H2,1-5H3.
What are the key properties of diethyl 2,2,3-trimethyl-1,4,6,6a-tetrahydrocyclopenta[c]silole-5,5-dicarboxylate?
diethyl 2,2,3-trimethyl-1,4,6,6a-tetrahydrocyclopenta[c]silole-5,5-dicarboxylate has a molecular weight of 310.47 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,2,3-trimethyl-1,4,6,6a-tetrahydrocyclopenta[c]silole-5,5-dicarboxylate is sourced from PubChem (CID 177433137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).