methyl (2Z)-2-(4-methoxy-4-oxo-1-trimethylsilylbutylidene)cyclopentane-1-carboxylate

C15H26O4Si — CID 10379960

IUPACmethyl (2Z)-2-(4-methoxy-4-oxo-1-trimethylsilylbutylidene)cyclopentane-1-carboxylate
SMILESCOC(=O)CC/C(=C1\CCCC1C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C15H26O4Si/c1-18-14(16)10-9-13(20(3,4)5)11-7-6-8-12(11)15(17)19-2/h12H,6-10H2,1-5H3/b13-11-
InChIKeyQZMJMYFTHPWELA-QBFSEMIESA-N
MW298.45 g/mol
LogP3.09
Rot. Bonds5

About methyl (2Z)-2-(4-methoxy-4-oxo-1-trimethylsilylbutylidene)cyclopentane-1-carboxylate

methyl (2Z)-2-(4-methoxy-4-oxo-1-trimethylsilylbutylidene)cyclopentane-1-carboxylate (PubChem CID 10379960) has the molecular formula C15H26O4Si and a molecular weight of 298.45 g/mol. Its IUPAC name is methyl (2Z)-2-(4-methoxy-4-oxo-1-trimethylsilylbutylidene)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (2Z)-2-(4-methoxy-4-oxo-1-trimethylsilylbutylidene)cyclopentane-1-carboxylate
PubChem CID10379960
Molecular FormulaC15H26O4Si
Molecular Weight298.45 g/mol
Exact Mass298.16
IUPAC Namemethyl (2Z)-2-(4-methoxy-4-oxo-1-trimethylsilylbutylidene)cyclopentane-1-carboxylate
SMILESCOC(=O)CC/C(=C1\CCCC1C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C15H26O4Si/c1-18-14(16)10-9-13(20(3,4)5)11-7-6-8-12(11)15(17)19-2/h12H,6-10H2,1-5H3/b13-11-
InChIKeyQZMJMYFTHPWELA-QBFSEMIESA-N
XLogP3.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-(4-methoxy-4-oxo-1-trimethylsilylbutylidene)cyclopentane-1-carboxylate?
The IUPAC name of methyl (2Z)-2-(4-methoxy-4-oxo-1-trimethylsilylbutylidene)cyclopentane-1-carboxylate (CID 10379960) is methyl (2Z)-2-(4-methoxy-4-oxo-1-trimethylsilylbutylidene)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl (2Z)-2-(4-methoxy-4-oxo-1-trimethylsilylbutylidene)cyclopentane-1-carboxylate?
The canonical SMILES for methyl (2Z)-2-(4-methoxy-4-oxo-1-trimethylsilylbutylidene)cyclopentane-1-carboxylate is COC(=O)CC/C(=C1\CCCC1C(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl (2Z)-2-(4-methoxy-4-oxo-1-trimethylsilylbutylidene)cyclopentane-1-carboxylate?
The InChIKey is QZMJMYFTHPWELA-QBFSEMIESA-N. The full InChI is InChI=1S/C15H26O4Si/c1-18-14(16)10-9-13(20(3,4)5)11-7-6-8-12(11)15(17)19-2/h12H,6-10H2,1-5H3/b13-11-.
What are the key properties of methyl (2Z)-2-(4-methoxy-4-oxo-1-trimethylsilylbutylidene)cyclopentane-1-carboxylate?
methyl (2Z)-2-(4-methoxy-4-oxo-1-trimethylsilylbutylidene)cyclopentane-1-carboxylate has a molecular weight of 298.45 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(4-methoxy-4-oxo-1-trimethylsilylbutylidene)cyclopentane-1-carboxylate is sourced from PubChem (CID 10379960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).