dimethyl 3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate

C18H32O4Si — CID 72771884

IUPACdimethyl 3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate
SMILESCC[Si](CC)(CC)C(C)=C1CC(C(=O)OC)(C(=O)OC)CC1C
InChIInChI=1S/C18H32O4Si/c1-8-23(9-2,10-3)14(5)15-12-18(11-13(15)4,16(19)21-6)17(20)22-7/h13H,8-12H2,1-7H3
InChIKeyIJSXREYKIASICR-UHFFFAOYSA-N
MW340.54 g/mol
LogP4.11
Rot. Bonds6

About dimethyl 3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate

dimethyl 3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate (PubChem CID 72771884) has the molecular formula C18H32O4Si and a molecular weight of 340.54 g/mol. Its IUPAC name is dimethyl 3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate
PubChem CID72771884
Molecular FormulaC18H32O4Si
Molecular Weight340.54 g/mol
Exact Mass340.21
IUPAC Namedimethyl 3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate
SMILESCC[Si](CC)(CC)C(C)=C1CC(C(=O)OC)(C(=O)OC)CC1C
InChIInChI=1S/C18H32O4Si/c1-8-23(9-2,10-3)14(5)15-12-18(11-13(15)4,16(19)21-6)17(20)22-7/h13H,8-12H2,1-7H3
InChIKeyIJSXREYKIASICR-UHFFFAOYSA-N
XLogP4.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 54.11
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

dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11786432
dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 164686401
dimethyl 4-methyl-8-trimethylsilyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 10735625
dimethyl (3aS,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-methyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 11361835
dimethyl (3aS,7R)-8-methyl-7-trimethylsilyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 11416432
dimethyl (3E,4E)-3-ethylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 14911452
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
dimethyl (4E)-3-prop-1-en-2-yl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 101546111
dimethyl (3aS,6R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1,3,3a,6-tetrahydroindene-2,2-dicarboxylate
CID 134900202
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

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl 3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate (CID 72771884) is dimethyl 3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl 3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate is CC[Si](CC)(CC)C(C)=C1CC(C(=O)OC)(C(=O)OC)CC1C.
What is the InChIKey of dimethyl 3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate?
The InChIKey is IJSXREYKIASICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4Si/c1-8-23(9-2,10-3)14(5)15-12-18(11-13(15)4,16(19)21-6)17(20)22-7/h13H,8-12H2,1-7H3.
What are the key properties of dimethyl 3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate?
dimethyl 3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate has a molecular weight of 340.54 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 72771884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).