methyl 3-tert-butyl-1-(dimethylsilyloxymethyl)cyclobutane-1-carboxylate

C13H26O3Si — CID 175114640

IUPACmethyl 3-tert-butyl-1-(dimethylsilyloxymethyl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(CO[SiH](C)C)CC(C(C)(C)C)C1
InChIInChI=1S/C13H26O3Si/c1-12(2,3)10-7-13(8-10,11(14)15-4)9-16-17(5)6/h10,17H,7-9H2,1-6H3
InChIKeyJWSDOUGPOCMCCS-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.60
Rot. Bonds4

About methyl 3-tert-butyl-1-(dimethylsilyloxymethyl)cyclobutane-1-carboxylate

methyl 3-tert-butyl-1-(dimethylsilyloxymethyl)cyclobutane-1-carboxylate (PubChem CID 175114640) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is methyl 3-tert-butyl-1-(dimethylsilyloxymethyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-tert-butyl-1-(dimethylsilyloxymethyl)cyclobutane-1-carboxylate
PubChem CID175114640
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Namemethyl 3-tert-butyl-1-(dimethylsilyloxymethyl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(CO[SiH](C)C)CC(C(C)(C)C)C1
InChIInChI=1S/C13H26O3Si/c1-12(2,3)10-7-13(8-10,11(14)15-4)9-16-17(5)6/h10,17H,7-9H2,1-6H3
InChIKeyJWSDOUGPOCMCCS-UHFFFAOYSA-N
XLogP2.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.60
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 3-tert-butyl-1-(dimethylsilyloxymethyl)cyclobutane-1-carboxylate?
The IUPAC name of methyl 3-tert-butyl-1-(dimethylsilyloxymethyl)cyclobutane-1-carboxylate (CID 175114640) is methyl 3-tert-butyl-1-(dimethylsilyloxymethyl)cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-tert-butyl-1-(dimethylsilyloxymethyl)cyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-tert-butyl-1-(dimethylsilyloxymethyl)cyclobutane-1-carboxylate is COC(=O)C1(CO[SiH](C)C)CC(C(C)(C)C)C1.
What is the InChIKey of methyl 3-tert-butyl-1-(dimethylsilyloxymethyl)cyclobutane-1-carboxylate?
The InChIKey is JWSDOUGPOCMCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-12(2,3)10-7-13(8-10,11(14)15-4)9-16-17(5)6/h10,17H,7-9H2,1-6H3.
What are the key properties of methyl 3-tert-butyl-1-(dimethylsilyloxymethyl)cyclobutane-1-carboxylate?
methyl 3-tert-butyl-1-(dimethylsilyloxymethyl)cyclobutane-1-carboxylate has a molecular weight of 258.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-tert-butyl-1-(dimethylsilyloxymethyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 175114640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).