methyl (4E)-2-methyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate

C12H22O2Si — CID 5368153

IUPACmethyl (4E)-2-methyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate
SMILESCOC(=O)C1C/C(=C/[Si](C)(C)C)CC1C
InChIInChI=1S/C12H22O2Si/c1-9-6-10(8-15(3,4)5)7-11(9)12(13)14-2/h8-9,11H,6-7H2,1-5H3/b10-8+
InChIKeyIEKMEVCXWNSPEG-CSKARUKUSA-N
MW226.39 g/mol
LogP3.01
Rot. Bonds2

About methyl (4E)-2-methyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate

methyl (4E)-2-methyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate (PubChem CID 5368153) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is methyl (4E)-2-methyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (4E)-2-methyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate
PubChem CID5368153
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Namemethyl (4E)-2-methyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate
SMILESCOC(=O)C1C/C(=C/[Si](C)(C)C)CC1C
InChIInChI=1S/C12H22O2Si/c1-9-6-10(8-15(3,4)5)7-11(9)12(13)14-2/h8-9,11H,6-7H2,1-5H3/b10-8+
InChIKeyIEKMEVCXWNSPEG-CSKARUKUSA-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 2-methyl-4-methylenecyclopentanecarboxylate
CID 565539
methyl 2-[(1R)-1,2-dimethyl-3-methylidenecyclopentyl]acetate
CID 162420347
methyl 2-[(1S)-1,2-dimethyl-3-methylidenecyclopentyl]acetate
CID 162420348
Methyl 2-(2-methylidenecyclopentyl)acetate
CID 11116269
trans-methyl (1S,2S)-2-methyl-4-methylidenecyclopentane-1-carboxylate
CID 121340241
trans-methyl (1R,2R)-2-methyl-4-methylidenecyclopentane-1-carboxylate
CID 12537218
Ethyl 2-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 73820219
ethyl (5E)-4-methyl-5-(trimethylsilyloxymethylidene)heptanoate
CID 13265454
Methyl 3-(2-methylenecyclopentyl)propanoate
CID 24973724
methyl (1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 46899996
cis-methyl (1S,2R)-2-methyl-4-methylidenecyclopentane-1-carboxylate
CID 134900551
methyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclopentyl]acetate
CID 134901015

Frequently Asked Questions

What is the IUPAC name of methyl (4E)-2-methyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate?
The IUPAC name of methyl (4E)-2-methyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate (CID 5368153) is methyl (4E)-2-methyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl (4E)-2-methyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate?
The canonical SMILES for methyl (4E)-2-methyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate is COC(=O)C1C/C(=C/[Si](C)(C)C)CC1C.
What is the InChIKey of methyl (4E)-2-methyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate?
The InChIKey is IEKMEVCXWNSPEG-CSKARUKUSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-9-6-10(8-15(3,4)5)7-11(9)12(13)14-2/h8-9,11H,6-7H2,1-5H3/b10-8+.
What are the key properties of methyl (4E)-2-methyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate?
methyl (4E)-2-methyl-4-(trimethylsilylmethylidene)cyclopentane-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 (4E)-2-methyl-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate is sourced from PubChem (CID 5368153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).