methyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclobutane-1-carboxylate

C14H28O3Si — CID 174067211

IUPACmethyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclobutane-1-carboxylate
SMILESCOC(=O)C1(CO[Si](C)(C)C(C)(C)C)CC(C)C1
InChIInChI=1S/C14H28O3Si/c1-11-8-14(9-11,12(15)16-5)10-17-18(6,7)13(2,3)4/h11H,8-10H2,1-7H3
InChIKeyXZOICTCXQFEARW-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.60
Rot. Bonds4

About methyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclobutane-1-carboxylate

methyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclobutane-1-carboxylate (PubChem CID 174067211) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is methyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclobutane-1-carboxylate
PubChem CID174067211
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Namemethyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclobutane-1-carboxylate
SMILESCOC(=O)C1(CO[Si](C)(C)C(C)(C)C)CC(C)C1
InChIInChI=1S/C14H28O3Si/c1-11-8-14(9-11,12(15)16-5)10-17-18(6,7)13(2,3)4/h11H,8-10H2,1-7H3
InChIKeyXZOICTCXQFEARW-UHFFFAOYSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-2-carboxylate
CID 11694918
methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-methylidene-5-oxopyrrolidine-2-carboxylate
CID 11392848
methyl 3-tert-butyl-1-(dimethylsilyloxymethyl)cyclobutane-1-carboxylate
CID 175114640
cis-methyl (1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carboxylate
CID 140907186
1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutan-1-ol
CID 70362766
dimethyl (2S,5R)-2-ethyl-5-methyloxane-3,3-dicarboxylate
CID 101361855
cis-methyl (3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-hydroxy-4-methylidenecyclohexane-1-carboxylate
CID 91867254
methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidin-1-ide-2-carboxylate
CID 91868283
[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 59000904
methyl (1R,2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylcyclopentane-1-carboxylate
CID 11015241
methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpiperidine-1-carboxylate
CID 66732037
dimethyl 2-ethyl-5-methyloxepane-3,3-dicarboxylate
CID 101361863

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclobutane-1-carboxylate?
The IUPAC name of methyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclobutane-1-carboxylate (CID 174067211) is methyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclobutane-1-carboxylate is COC(=O)C1(CO[Si](C)(C)C(C)(C)C)CC(C)C1.
What is the InChIKey of methyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclobutane-1-carboxylate?
The InChIKey is XZOICTCXQFEARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-11-8-14(9-11,12(15)16-5)10-17-18(6,7)13(2,3)4/h11H,8-10H2,1-7H3.
What are the key properties of methyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclobutane-1-carboxylate?
methyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclobutane-1-carboxylate has a molecular weight of 272.46 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclobutane-1-carboxylate is sourced from PubChem (CID 174067211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).