3-methyl-3-triethylsilyloxycyclobutane-1-carbonitrile

C12H23NOSi — CID 177439553

IUPAC3-methyl-3-triethylsilyloxycyclobutane-1-carbonitrile
SMILESCC[Si](CC)(CC)OC1(C)CC(C#N)C1
InChIInChI=1S/C12H23NOSi/c1-5-15(6-2,7-3)14-12(4)8-11(9-12)10-13/h11H,5-9H2,1-4H3
InChIKeyODOUCNKMYDFRGC-UHFFFAOYSA-N
MW225.41 g/mol
LogP3.70
Rot. Bonds5

About 3-methyl-3-triethylsilyloxycyclobutane-1-carbonitrile

3-methyl-3-triethylsilyloxycyclobutane-1-carbonitrile (PubChem CID 177439553) has the molecular formula C12H23NOSi and a molecular weight of 225.41 g/mol. Its IUPAC name is 3-methyl-3-triethylsilyloxycyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-methyl-3-triethylsilyloxycyclobutane-1-carbonitrile
PubChem CID177439553
Molecular FormulaC12H23NOSi
Molecular Weight225.41 g/mol
Exact Mass225.15
IUPAC Name3-methyl-3-triethylsilyloxycyclobutane-1-carbonitrile
SMILESCC[Si](CC)(CC)OC1(C)CC(C#N)C1
InChIInChI=1S/C12H23NOSi/c1-5-15(6-2,7-3)14-12(4)8-11(9-12)10-13/h11H,5-9H2,1-4H3
InChIKeyODOUCNKMYDFRGC-UHFFFAOYSA-N
XLogP3.70
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane
CID 171511357
3-methyl-3-propan-2-ylcyclobutane-1-carbonitrile
CID 162377689
3-(bromomethyl)-3-methoxycyclobutane-1-carbonitrile
CID 12013493
methyl 3-cyano-1-methylcyclobutane-1-carboxylate
CID 173252740
triethylsilyl cyanate
CID 19049697
2-methyl-5-triethylsilyloxyadamantan-2-ol
CID 140785194
[(3aS,6aR)-5-cyano-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl] carbamate
CID 118035515
2-ethyl-2-methyloxane-4-carbonitrile
CID 12822947
1-(4-fluoro-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile
CID 87529611
S-[(3-cyano-1-methylcyclobutyl)methyl] ethanethioate
CID 125471076
3-amino-3-propan-2-ylcyclobutane-1-carbonitrile
CID 176651005
2,2-dimethyl-1-propylpiperidine-4-carbonitrile
CID 117020237

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-triethylsilyloxycyclobutane-1-carbonitrile?
The IUPAC name of 3-methyl-3-triethylsilyloxycyclobutane-1-carbonitrile (CID 177439553) is 3-methyl-3-triethylsilyloxycyclobutane-1-carbonitrile.
What is the SMILES notation for 3-methyl-3-triethylsilyloxycyclobutane-1-carbonitrile?
The canonical SMILES for 3-methyl-3-triethylsilyloxycyclobutane-1-carbonitrile is CC[Si](CC)(CC)OC1(C)CC(C#N)C1.
What is the InChIKey of 3-methyl-3-triethylsilyloxycyclobutane-1-carbonitrile?
The InChIKey is ODOUCNKMYDFRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOSi/c1-5-15(6-2,7-3)14-12(4)8-11(9-12)10-13/h11H,5-9H2,1-4H3.
What are the key properties of 3-methyl-3-triethylsilyloxycyclobutane-1-carbonitrile?
3-methyl-3-triethylsilyloxycyclobutane-1-carbonitrile has a molecular weight of 225.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-triethylsilyloxycyclobutane-1-carbonitrile is sourced from PubChem (CID 177439553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).