methyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1-carboxylate

C11H20O2Si — CID 5366900

IUPACmethyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CC/C(=C\[Si](C)(C)C)C1
InChIInChI=1S/C11H20O2Si/c1-13-11(12)10-6-5-9(7-10)8-14(2,3)4/h8,10H,5-7H2,1-4H3/b9-8+
InChIKeyIPNRHDBFOYSXAA-CMDGGOBGSA-N
MW212.36 g/mol
LogP2.76
Rot. Bonds2

About methyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1-carboxylate

methyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1-carboxylate (PubChem CID 5366900) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is methyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1-carboxylate
PubChem CID5366900
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Namemethyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CC/C(=C\[Si](C)(C)C)C1
InChIInChI=1S/C11H20O2Si/c1-13-11(12)10-6-5-9(7-10)8-14(2,3)4/h8,10H,5-7H2,1-4H3/b9-8+
InChIKeyIPNRHDBFOYSXAA-CMDGGOBGSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.76
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-methylidenecyclopentane-1-carboxylate
CID 557110
Methyl 4-trimethylsilylmethyl-3-cyclohexenecarboxylate
CID 10537258
Methyl 2,4,5-trimethylhex-5-enoate
CID 134916431
ethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate
CID 11231042
Methyl 3,5-dimethylhex-5-enoate
CID 12676515
Ethyl 3,7-dimethyl-8-trimethylsilyloct-6-enoate
CID 72761153
Dimethyl 3-methylidene-4-(trimethylsilylmethyl)cyclopentane-1,1-dicarboxylate
CID 135069171
(3S)-3-[2-(trimethylsilylmethyl)prop-2-enyl]oxolan-2-one
CID 162404388
Cyclopentanecarboxylic acid, 3-isopropylidene-4-trimethylsilyl-, methyl ester
CID 552313
Cyclopentane-1,2-dicarboxylic acid, 4-methylene-3-trimethylsilyl-, dimethyl ester
CID 552558
4-Pentenecarboxylic acid, 2-methyl-3-methylene-4-trimethylsilyl-, methyl ester
CID 553446
Methyl 2-methylidenecyclopentane-1-carboxylate
CID 557112

Frequently Asked Questions

What is the IUPAC name of methyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1-carboxylate?
The IUPAC name of methyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1-carboxylate (CID 5366900) is methyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1-carboxylate?
The canonical SMILES for methyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1-carboxylate is COC(=O)C1CC/C(=C\[Si](C)(C)C)C1.
What is the InChIKey of methyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1-carboxylate?
The InChIKey is IPNRHDBFOYSXAA-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-13-11(12)10-6-5-9(7-10)8-14(2,3)4/h8,10H,5-7H2,1-4H3/b9-8+.
What are the key properties of methyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1-carboxylate?
methyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1-carboxylate has a molecular weight of 212.36 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1-carboxylate is sourced from PubChem (CID 5366900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).