methyl (4Z)-3-(2,2-dimethylpropyl)-4-(trimethylsilylmethylidene)oxolane-3-carboxylate

C15H28O3Si — CID 134858476

IUPACmethyl (4Z)-3-(2,2-dimethylpropyl)-4-(trimethylsilylmethylidene)oxolane-3-carboxylate
SMILESCOC(=O)C1(CC(C)(C)C)COC/C1=C\[Si](C)(C)C
InChIInChI=1S/C15H28O3Si/c1-14(2,3)10-15(13(16)17-4)11-18-8-12(15)9-19(5,6)7/h9H,8,10-11H2,1-7H3/b12-9+
InChIKeyWTZJSPORFYBFEZ-FMIVXFBMSA-N
MW284.47 g/mol
LogP3.42
Rot. Bonds3

About methyl (4Z)-3-(2,2-dimethylpropyl)-4-(trimethylsilylmethylidene)oxolane-3-carboxylate

methyl (4Z)-3-(2,2-dimethylpropyl)-4-(trimethylsilylmethylidene)oxolane-3-carboxylate (PubChem CID 134858476) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is methyl (4Z)-3-(2,2-dimethylpropyl)-4-(trimethylsilylmethylidene)oxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl (4Z)-3-(2,2-dimethylpropyl)-4-(trimethylsilylmethylidene)oxolane-3-carboxylate
PubChem CID134858476
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Namemethyl (4Z)-3-(2,2-dimethylpropyl)-4-(trimethylsilylmethylidene)oxolane-3-carboxylate
SMILESCOC(=O)C1(CC(C)(C)C)COC/C1=C\[Si](C)(C)C
InChIInChI=1S/C15H28O3Si/c1-14(2,3)10-15(13(16)17-4)11-18-8-12(15)9-19(5,6)7/h9H,8,10-11H2,1-7H3/b12-9+
InChIKeyWTZJSPORFYBFEZ-FMIVXFBMSA-N
XLogP3.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (4Z)-3-(2,2-dimethylpropyl)-4-(trimethylsilylmethylidene)oxolane-3-carboxylate?
The IUPAC name of methyl (4Z)-3-(2,2-dimethylpropyl)-4-(trimethylsilylmethylidene)oxolane-3-carboxylate (CID 134858476) is methyl (4Z)-3-(2,2-dimethylpropyl)-4-(trimethylsilylmethylidene)oxolane-3-carboxylate.
What is the SMILES notation for methyl (4Z)-3-(2,2-dimethylpropyl)-4-(trimethylsilylmethylidene)oxolane-3-carboxylate?
The canonical SMILES for methyl (4Z)-3-(2,2-dimethylpropyl)-4-(trimethylsilylmethylidene)oxolane-3-carboxylate is COC(=O)C1(CC(C)(C)C)COC/C1=C\[Si](C)(C)C.
What is the InChIKey of methyl (4Z)-3-(2,2-dimethylpropyl)-4-(trimethylsilylmethylidene)oxolane-3-carboxylate?
The InChIKey is WTZJSPORFYBFEZ-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-14(2,3)10-15(13(16)17-4)11-18-8-12(15)9-19(5,6)7/h9H,8,10-11H2,1-7H3/b12-9+.
What are the key properties of methyl (4Z)-3-(2,2-dimethylpropyl)-4-(trimethylsilylmethylidene)oxolane-3-carboxylate?
methyl (4Z)-3-(2,2-dimethylpropyl)-4-(trimethylsilylmethylidene)oxolane-3-carboxylate has a molecular weight of 284.47 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4Z)-3-(2,2-dimethylpropyl)-4-(trimethylsilylmethylidene)oxolane-3-carboxylate is sourced from PubChem (CID 134858476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).