dimethyl (3E,4E)-3-(2-methoxy-2-oxoethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate

C19H30O6Si — CID 102573014

IUPACdimethyl (3E,4E)-3-(2-methoxy-2-oxoethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESCC[Si](/C=C1\CC(C(=O)OC)(C(=O)OC)C\C1=C/C(=O)OC)(CC)CC
InChIInChI=1S/C19H30O6Si/c1-7-26(8-2,9-3)13-15-12-19(17(21)24-5,18(22)25-6)11-14(15)10-16(20)23-4/h10,13H,7-9,11-12H2,1-6H3/b14-10+,15-13+
InChIKeyKOMHCKCOIPIOJY-MRKNTEETSA-N
MW382.53 g/mol
LogP3.19
Rot. Bonds7

About dimethyl (3E,4E)-3-(2-methoxy-2-oxoethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate

dimethyl (3E,4E)-3-(2-methoxy-2-oxoethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate (PubChem CID 102573014) has the molecular formula C19H30O6Si and a molecular weight of 382.53 g/mol. Its IUPAC name is dimethyl (3E,4E)-3-(2-methoxy-2-oxoethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3E,4E)-3-(2-methoxy-2-oxoethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
PubChem CID102573014
Molecular FormulaC19H30O6Si
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC Namedimethyl (3E,4E)-3-(2-methoxy-2-oxoethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESCC[Si](/C=C1\CC(C(=O)OC)(C(=O)OC)C\C1=C/C(=O)OC)(CC)CC
InChIInChI=1S/C19H30O6Si/c1-7-26(8-2,9-3)13-15-12-19(17(21)24-5,18(22)25-6)11-14(15)10-16(20)23-4/h10,13H,7-9,11-12H2,1-6H3/b14-10+,15-13+
InChIKeyKOMHCKCOIPIOJY-MRKNTEETSA-N
XLogP3.19
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dimethyl (3E,4E)-3-ethylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 14911452
dimethyl (3Z)-3-(2-methoxy-2-oxoethylidene)cyclopentane-1,1-dicarboxylate
CID 101442461
diethyl (3E,4E)-3,4-bis(2-methoxy-2-oxoethylidene)cyclopentane-1,1-dicarboxylate
CID 101688549
Dimethyl 4,4-bis(ethoxycarbonyl)-1,2-cyclopentanediylidenediacetate
CID 129723659
Dimethyl 1-methyl-3-oxo-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate
CID 135063180
dimethyl (3E,4Z)-3-(2-methoxy-2-oxoethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11036349
dimethyl (3E)-3-[1-[tert-butyl(dimethyl)silyl]-2-cyclopropylidenebut-3-enylidene]-4-methylidenecyclopentane-1,1-dicarboxylate
CID 11350190
dimethyl (3Z,4E)-3-(triethylsilylmethylidene)-4-(2-triethylsilyloxypropylidene)cyclopentane-1,1-dicarboxylate
CID 11730567
dimethyl (3Z)-3-(2-acetyloxyethylidene)-4-methylidenecyclopentane-1,1-dicarboxylate
CID 21587833
dimethyl (3E)-3-(2-acetyloxyethylidene)-4-methylidenecyclopentane-1,1-dicarboxylate
CID 10826732
CID 10895357
CID 10895357
dimethyl (3E,4E)-3-propylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 10895358

Frequently Asked Questions

What is the IUPAC name of dimethyl (3E,4E)-3-(2-methoxy-2-oxoethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (3E,4E)-3-(2-methoxy-2-oxoethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate (CID 102573014) is dimethyl (3E,4E)-3-(2-methoxy-2-oxoethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (3E,4E)-3-(2-methoxy-2-oxoethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (3E,4E)-3-(2-methoxy-2-oxoethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate is CC[Si](/C=C1\CC(C(=O)OC)(C(=O)OC)C\C1=C/C(=O)OC)(CC)CC.
What is the InChIKey of dimethyl (3E,4E)-3-(2-methoxy-2-oxoethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The InChIKey is KOMHCKCOIPIOJY-MRKNTEETSA-N. The full InChI is InChI=1S/C19H30O6Si/c1-7-26(8-2,9-3)13-15-12-19(17(21)24-5,18(22)25-6)11-14(15)10-16(20)23-4/h10,13H,7-9,11-12H2,1-6H3/b14-10+,15-13+.
What are the key properties of dimethyl (3E,4E)-3-(2-methoxy-2-oxoethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
dimethyl (3E,4E)-3-(2-methoxy-2-oxoethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate has a molecular weight of 382.53 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3E,4E)-3-(2-methoxy-2-oxoethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 102573014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).