dimethyl 5-oxo-6-trimethylsilylspiro[3,3a-dihydro-1H-pentalene-4,1'-cyclopropane]-2,2-dicarboxylate

C17H24O5Si — CID 10947689

IUPACdimethyl 5-oxo-6-trimethylsilylspiro[3,3a-dihydro-1H-pentalene-4,1'-cyclopropane]-2,2-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC2=C([Si](C)(C)C)C(=O)C3(CC3)C2C1
InChIInChI=1S/C17H24O5Si/c1-21-14(19)17(15(20)22-2)8-10-11(9-17)16(6-7-16)13(18)12(10)23(3,4)5/h11H,6-9H2,1-5H3
InChIKeyFBBCFRWMGPXTGS-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.27
Rot. Bonds3

About dimethyl 5-oxo-6-trimethylsilylspiro[3,3a-dihydro-1H-pentalene-4,1'-cyclopropane]-2,2-dicarboxylate

dimethyl 5-oxo-6-trimethylsilylspiro[3,3a-dihydro-1H-pentalene-4,1'-cyclopropane]-2,2-dicarboxylate (PubChem CID 10947689) has the molecular formula C17H24O5Si and a molecular weight of 336.46 g/mol. Its IUPAC name is dimethyl 5-oxo-6-trimethylsilylspiro[3,3a-dihydro-1H-pentalene-4,1'-cyclopropane]-2,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-oxo-6-trimethylsilylspiro[3,3a-dihydro-1H-pentalene-4,1'-cyclopropane]-2,2-dicarboxylate
PubChem CID10947689
Molecular FormulaC17H24O5Si
Molecular Weight336.46 g/mol
Exact Mass336.14
IUPAC Namedimethyl 5-oxo-6-trimethylsilylspiro[3,3a-dihydro-1H-pentalene-4,1'-cyclopropane]-2,2-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC2=C([Si](C)(C)C)C(=O)C3(CC3)C2C1
InChIInChI=1S/C17H24O5Si/c1-21-14(19)17(15(20)22-2)8-10-11(9-17)16(6-7-16)13(18)12(10)23(3,4)5/h11H,6-9H2,1-5H3
InChIKeyFBBCFRWMGPXTGS-UHFFFAOYSA-N
XLogP2.27
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.27
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'}

Analyze dimethyl 5-oxo-6-trimethylsilylspiro[3,3a-dihydro-1H-pentalene-4,1'-cyclopropane]-2,2-dicarboxylate with MolForge

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Related Compounds

Diethyl 7-oxo-8-methyl-bicyclo[3.3.0]oct-1(8)-ene-3,3-dicarboxylate
CID 10423778
Diethyl 6-[tert-butyl(dimethyl)silyl]-5-oxo-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate
CID 9999842
ditert-butyl (3aS)-6-methyl-5-oxo-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate
CID 11142280
Dimethyl 6-methyl-5-oxo-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate
CID 11311298
dimethyl (3R,3aR)-3-methyl-5-oxo-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate
CID 11379748
diethyl (3aS)-6-methyl-5-oxo-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate
CID 11471505
dimethyl (3R,3aS)-3-methyl-5-oxo-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate
CID 11736851
diethyl (3aR)-6-methyl-5-oxo-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate
CID 11808093
Dimethyl 5-oxo-6-trimethylgermyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate
CID 12013178
Ethyl 6-[tert-butyl(dimethyl)silyl]-2-methyl-5-oxo-1,3,3a,4-tetrahydropentalene-2-carboxylate
CID 15364595
Dimethyl 6-methyl-4-(3-methylbut-1-en-2-yl)-5-oxo-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate
CID 72811209
diethyl (3aR)-5-oxo-6-propyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate
CID 101037662

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-oxo-6-trimethylsilylspiro[3,3a-dihydro-1H-pentalene-4,1'-cyclopropane]-2,2-dicarboxylate?
The IUPAC name of dimethyl 5-oxo-6-trimethylsilylspiro[3,3a-dihydro-1H-pentalene-4,1'-cyclopropane]-2,2-dicarboxylate (CID 10947689) is dimethyl 5-oxo-6-trimethylsilylspiro[3,3a-dihydro-1H-pentalene-4,1'-cyclopropane]-2,2-dicarboxylate.
What is the SMILES notation for dimethyl 5-oxo-6-trimethylsilylspiro[3,3a-dihydro-1H-pentalene-4,1'-cyclopropane]-2,2-dicarboxylate?
The canonical SMILES for dimethyl 5-oxo-6-trimethylsilylspiro[3,3a-dihydro-1H-pentalene-4,1'-cyclopropane]-2,2-dicarboxylate is COC(=O)C1(C(=O)OC)CC2=C([Si](C)(C)C)C(=O)C3(CC3)C2C1.
What is the InChIKey of dimethyl 5-oxo-6-trimethylsilylspiro[3,3a-dihydro-1H-pentalene-4,1'-cyclopropane]-2,2-dicarboxylate?
The InChIKey is FBBCFRWMGPXTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O5Si/c1-21-14(19)17(15(20)22-2)8-10-11(9-17)16(6-7-16)13(18)12(10)23(3,4)5/h11H,6-9H2,1-5H3.
What are the key properties of dimethyl 5-oxo-6-trimethylsilylspiro[3,3a-dihydro-1H-pentalene-4,1'-cyclopropane]-2,2-dicarboxylate?
dimethyl 5-oxo-6-trimethylsilylspiro[3,3a-dihydro-1H-pentalene-4,1'-cyclopropane]-2,2-dicarboxylate has a molecular weight of 336.46 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-oxo-6-trimethylsilylspiro[3,3a-dihydro-1H-pentalene-4,1'-cyclopropane]-2,2-dicarboxylate is sourced from PubChem (CID 10947689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).