dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate

C18H28O5Si2 — CID 134886799

IUPACdimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC2=C([Si](C)(C)C)C(=O)C([Si](C)(C)C)=C2C1
InChIInChI=1S/C18H28O5Si2/c1-22-16(20)18(17(21)23-2)9-11-12(10-18)15(25(6,7)8)13(19)14(11)24(3,4)5/h9-10H2,1-8H3
InChIKeyKSNCKLHUINQUHD-UHFFFAOYSA-N
MW380.59 g/mol
LogP3.04
Rot. Bonds4

About dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate

dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate (PubChem CID 134886799) has the molecular formula C18H28O5Si2 and a molecular weight of 380.59 g/mol. Its IUPAC name is dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate
PubChem CID134886799
Molecular FormulaC18H28O5Si2
Molecular Weight380.59 g/mol
Exact Mass380.15
IUPAC Namedimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC2=C([Si](C)(C)C)C(=O)C([Si](C)(C)C)=C2C1
InChIInChI=1S/C18H28O5Si2/c1-22-16(20)18(17(21)23-2)9-11-12(10-18)15(25(6,7)8)13(19)14(11)24(3,4)5/h9-10H2,1-8H3
InChIKeyKSNCKLHUINQUHD-UHFFFAOYSA-N
XLogP3.04
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.59
LogP ≤ 53.04
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'}

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Related Compounds

Carbon monoxide;dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate;iron
CID 134886798
Diethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate
CID 71603292
Diethyl 2-tert-butyl-1,2,3-trimethyl-4,6-dihydrocyclopenta[c]silole-5,5-dicarboxylate
CID 10338826
dimethyl (3E,4E)-3-propylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 10895358
Dimethyl 6-[tert-butyl(dimethyl)silyl]-5-oxo-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate
CID 11727902
dimethyl (3aE,8Z)-5-oxo-4-trimethylsilyl-3,6,7,9a-tetrahydro-1H-cyclopenta[8]annulene-2,2-dicarboxylate
CID 53483588
dimethyl (3Z,4E)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-ethylidenecyclopentane-1,1-dicarboxylate
CID 101217882
dimethyl (3aZ,9Z)-6,6-diethyl-4,9-dimethyl-8-oxo-1,3,5,7-tetrahydrocyclopenta[8]annulene-2,2-dicarboxylate
CID 101396219

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate?
The IUPAC name of dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate (CID 134886799) is dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate.
What is the SMILES notation for dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate?
The canonical SMILES for dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate is COC(=O)C1(C(=O)OC)CC2=C([Si](C)(C)C)C(=O)C([Si](C)(C)C)=C2C1.
What is the InChIKey of dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate?
The InChIKey is KSNCKLHUINQUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O5Si2/c1-22-16(20)18(17(21)23-2)9-11-12(10-18)15(25(6,7)8)13(19)14(11)24(3,4)5/h9-10H2,1-8H3.
What are the key properties of dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate?
dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate has a molecular weight of 380.59 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate is sourced from PubChem (CID 134886799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).