3,5-dimethyl-4-trimethylsilyloxybenzonitrile

C12H17NOSi — CID 167714450

IUPAC3,5-dimethyl-4-trimethylsilyloxybenzonitrile
SMILESCc1cc(C#N)cc(C)c1O[Si](C)(C)C
InChIInChI=1S/C12H17NOSi/c1-9-6-11(8-13)7-10(2)12(9)14-15(3,4)5/h6-7H,1-5H3
InChIKeyQVPOEPQLBSVULX-UHFFFAOYSA-N
MW219.36 g/mol
LogP3.39
Rot. Bonds2

About 3,5-dimethyl-4-trimethylsilyloxybenzonitrile

3,5-dimethyl-4-trimethylsilyloxybenzonitrile (PubChem CID 167714450) has the molecular formula C12H17NOSi and a molecular weight of 219.36 g/mol. Its IUPAC name is 3,5-dimethyl-4-trimethylsilyloxybenzonitrile.

Molecular Properties

Compound Name3,5-dimethyl-4-trimethylsilyloxybenzonitrile
PubChem CID167714450
Molecular FormulaC12H17NOSi
Molecular Weight219.36 g/mol
Exact Mass219.11
IUPAC Name3,5-dimethyl-4-trimethylsilyloxybenzonitrile
SMILESCc1cc(C#N)cc(C)c1O[Si](C)(C)C
InChIInChI=1S/C12H17NOSi/c1-9-6-11(8-13)7-10(2)12(9)14-15(3,4)5/h6-7H,1-5H3
InChIKeyQVPOEPQLBSVULX-UHFFFAOYSA-N
XLogP3.39
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.36
LogP ≤ 53.39
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

4-methyl-1,2-benzoxazole-6-carbonitrile
CID 130063899
5-chloro-3-methyl-2-trimethylsilyloxybenzonitrile
CID 167727426
[4-[(3,5-dimethyl-4-trimethylsilyloxyphenyl)disulfanyl]-2,6-dimethylphenoxy]-trimethylsilane
CID 57089195
3,5-dimethyl-4-trimethylsilyloxybenzaldehyde
CID 102090063
3-iodo-4-methoxy-5-methylbenzonitrile
CID 166637933
3,5-dimethyl-4-(2-methylpropoxy)benzonitrile
CID 65454303
2-(4-cyano-2,6-dimethylphenoxy)pyrimidine-4-carbonitrile
CID 107545976
4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,5-dimethylbenzonitrile
CID 65454488
3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]benzonitrile
CID 14981815
potassium (4-cyano-2,6-dimethylphenoxy)methyl-trifluoroboranuide
CID 65470810
2-(4-cyano-2,6-dimethylphenoxy)acetic acid
CID 65455986
5-cyano-2-methoxy-3-methylbenzoic acid
CID 131074131

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-trimethylsilyloxybenzonitrile?
The IUPAC name of 3,5-dimethyl-4-trimethylsilyloxybenzonitrile (CID 167714450) is 3,5-dimethyl-4-trimethylsilyloxybenzonitrile.
What is the SMILES notation for 3,5-dimethyl-4-trimethylsilyloxybenzonitrile?
The canonical SMILES for 3,5-dimethyl-4-trimethylsilyloxybenzonitrile is Cc1cc(C#N)cc(C)c1O[Si](C)(C)C.
What is the InChIKey of 3,5-dimethyl-4-trimethylsilyloxybenzonitrile?
The InChIKey is QVPOEPQLBSVULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOSi/c1-9-6-11(8-13)7-10(2)12(9)14-15(3,4)5/h6-7H,1-5H3.
What are the key properties of 3,5-dimethyl-4-trimethylsilyloxybenzonitrile?
3,5-dimethyl-4-trimethylsilyloxybenzonitrile has a molecular weight of 219.36 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-trimethylsilyloxybenzonitrile is sourced from PubChem (CID 167714450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).