methyl 2,4-dimethyl-3-trimethylsilylcyclopent-3-ene-1-carboxylate

C12H22O2Si — CID 552613

IUPACmethyl 2,4-dimethyl-3-trimethylsilylcyclopent-3-ene-1-carboxylate
SMILESCOC(=O)C1CC(C)=C([Si](C)(C)C)C1C
InChIInChI=1S/C12H22O2Si/c1-8-7-10(12(13)14-3)9(2)11(8)15(4,5)6/h9-10H,7H2,1-6H3
InChIKeyBSUOSGBAIKKQTD-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.01
Rot. Bonds2

About methyl 2,4-dimethyl-3-trimethylsilylcyclopent-3-ene-1-carboxylate

methyl 2,4-dimethyl-3-trimethylsilylcyclopent-3-ene-1-carboxylate (PubChem CID 552613) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is methyl 2,4-dimethyl-3-trimethylsilylcyclopent-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-dimethyl-3-trimethylsilylcyclopent-3-ene-1-carboxylate
PubChem CID552613
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Namemethyl 2,4-dimethyl-3-trimethylsilylcyclopent-3-ene-1-carboxylate
SMILESCOC(=O)C1CC(C)=C([Si](C)(C)C)C1C
InChIInChI=1S/C12H22O2Si/c1-8-7-10(12(13)14-3)9(2)11(8)15(4,5)6/h9-10H,7H2,1-6H3
InChIKeyBSUOSGBAIKKQTD-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Methyl 3-trimethylsilylmethyl-3-cyclohexenecarboxylate
CID 12563461
methyl (1S,5R)-5-trimethylsilylcyclohex-3-ene-1-carboxylate
CID 10921824
methyl (1R,5R)-5-trimethylsilylcyclohex-3-ene-1-carboxylate
CID 102198541
methyl (1S,5S)-5-trimethylsilylcyclohex-3-ene-1-carboxylate
CID 134900576
methyl (1R,5S)-5-trimethylsilylcyclohex-3-ene-1-carboxylate
CID 134944041
Cyclopentanecarboxylic acid, 3-isopropylidene-4-trimethylsilyl-, methyl ester
CID 552313
Methyl 1-trimethylsilyl-2-propyl-cyclopropene-3-carboxylate
CID 552557
Methyl 1-trimethylsilyl-2-ethyl-cyclopropene-3-carboxylate
CID 565001
Methyl 2-(trimethylsilyl)cyclohex-3-ene-1-carboxylate
CID 12726625
Methyl 2-(2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl)propanoate
CID 101362697
Methyl 2,3-diethyl-1-trimethylsilylcycloprop-2-ene-1-carboxylate
CID 45095602
methyl (2Z)-2-(4-methoxy-4-oxo-1-trimethylsilylbutylidene)cyclopentane-1-carboxylate
CID 10379960

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethyl-3-trimethylsilylcyclopent-3-ene-1-carboxylate?
The IUPAC name of methyl 2,4-dimethyl-3-trimethylsilylcyclopent-3-ene-1-carboxylate (CID 552613) is methyl 2,4-dimethyl-3-trimethylsilylcyclopent-3-ene-1-carboxylate.
What is the SMILES notation for methyl 2,4-dimethyl-3-trimethylsilylcyclopent-3-ene-1-carboxylate?
The canonical SMILES for methyl 2,4-dimethyl-3-trimethylsilylcyclopent-3-ene-1-carboxylate is COC(=O)C1CC(C)=C([Si](C)(C)C)C1C.
What is the InChIKey of methyl 2,4-dimethyl-3-trimethylsilylcyclopent-3-ene-1-carboxylate?
The InChIKey is BSUOSGBAIKKQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-8-7-10(12(13)14-3)9(2)11(8)15(4,5)6/h9-10H,7H2,1-6H3.
What are the key properties of methyl 2,4-dimethyl-3-trimethylsilylcyclopent-3-ene-1-carboxylate?
methyl 2,4-dimethyl-3-trimethylsilylcyclopent-3-ene-1-carboxylate has a molecular weight of 226.39 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethyl-3-trimethylsilylcyclopent-3-ene-1-carboxylate is sourced from PubChem (CID 552613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).