ethyl (2E)-2-[(2R,3S)-2,3-dimethylcyclopentylidene]-2-trimethylsilylacetate

C14H26O2Si — CID 154722617

IUPACethyl (2E)-2-[(2R,3S)-2,3-dimethylcyclopentylidene]-2-trimethylsilylacetate
SMILESCCOC(=O)/C(=C1/CC[C@H](C)[C@H]1C)[Si](C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-16-14(15)13(17(4,5)6)12-9-8-10(2)11(12)3/h10-11H,7-9H2,1-6H3/b13-12+/t10-,11+/m0/s1
InChIKeyTUKCWQXWMQCNOX-MRMLYHJQSA-N
MW254.45 g/mol
LogP3.79
Rot. Bonds3

About ethyl (2E)-2-[(2R,3S)-2,3-dimethylcyclopentylidene]-2-trimethylsilylacetate

ethyl (2E)-2-[(2R,3S)-2,3-dimethylcyclopentylidene]-2-trimethylsilylacetate (PubChem CID 154722617) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is ethyl (2E)-2-[(2R,3S)-2,3-dimethylcyclopentylidene]-2-trimethylsilylacetate.

Molecular Properties

Compound Nameethyl (2E)-2-[(2R,3S)-2,3-dimethylcyclopentylidene]-2-trimethylsilylacetate
PubChem CID154722617
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Nameethyl (2E)-2-[(2R,3S)-2,3-dimethylcyclopentylidene]-2-trimethylsilylacetate
SMILESCCOC(=O)/C(=C1/CC[C@H](C)[C@H]1C)[Si](C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-16-14(15)13(17(4,5)6)12-9-8-10(2)11(12)3/h10-11H,7-9H2,1-6H3/b13-12+/t10-,11+/m0/s1
InChIKeyTUKCWQXWMQCNOX-MRMLYHJQSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[(2R,3S)-2,3-dimethylcyclopentylidene]-2-trimethylsilylacetate?
The IUPAC name of ethyl (2E)-2-[(2R,3S)-2,3-dimethylcyclopentylidene]-2-trimethylsilylacetate (CID 154722617) is ethyl (2E)-2-[(2R,3S)-2,3-dimethylcyclopentylidene]-2-trimethylsilylacetate.
What is the SMILES notation for ethyl (2E)-2-[(2R,3S)-2,3-dimethylcyclopentylidene]-2-trimethylsilylacetate?
The canonical SMILES for ethyl (2E)-2-[(2R,3S)-2,3-dimethylcyclopentylidene]-2-trimethylsilylacetate is CCOC(=O)/C(=C1/CC[C@H](C)[C@H]1C)[Si](C)(C)C.
What is the InChIKey of ethyl (2E)-2-[(2R,3S)-2,3-dimethylcyclopentylidene]-2-trimethylsilylacetate?
The InChIKey is TUKCWQXWMQCNOX-MRMLYHJQSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-7-16-14(15)13(17(4,5)6)12-9-8-10(2)11(12)3/h10-11H,7-9H2,1-6H3/b13-12+/t10-,11+/m0/s1.
What are the key properties of ethyl (2E)-2-[(2R,3S)-2,3-dimethylcyclopentylidene]-2-trimethylsilylacetate?
ethyl (2E)-2-[(2R,3S)-2,3-dimethylcyclopentylidene]-2-trimethylsilylacetate has a molecular weight of 254.45 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(2R,3S)-2,3-dimethylcyclopentylidene]-2-trimethylsilylacetate is sourced from PubChem (CID 154722617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).