3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]benzonitrile

C14H21NOSi — CID 70998788

IUPAC3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]benzonitrile
SMILESCC(C)(CCc1cccc(C#N)c1)[Si](C)(C)O
InChIInChI=1S/C14H21NOSi/c1-14(2,17(3,4)16)9-8-12-6-5-7-13(10-12)11-15/h5-7,10,16H,8-9H2,1-4H3
InChIKeyUNUPWQNAZNRTMZ-UHFFFAOYSA-N
MW247.41 g/mol
LogP3.47
Rot. Bonds4

About 3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]benzonitrile

3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]benzonitrile (PubChem CID 70998788) has the molecular formula C14H21NOSi and a molecular weight of 247.41 g/mol. Its IUPAC name is 3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]benzonitrile.

Molecular Properties

Compound Name3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]benzonitrile
PubChem CID70998788
Molecular FormulaC14H21NOSi
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]benzonitrile
SMILESCC(C)(CCc1cccc(C#N)c1)[Si](C)(C)O
InChIInChI=1S/C14H21NOSi/c1-14(2,17(3,4)16)9-8-12-6-5-7-13(10-12)11-15/h5-7,10,16H,8-9H2,1-4H3
InChIKeyUNUPWQNAZNRTMZ-UHFFFAOYSA-N
XLogP3.47
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-propylbenzonitrile
CID 18415311
3-(2-hydroxyethyl)benzonitrile
CID 14926727
3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzonitrile
CID 22050298
3-[2-(4-hydroxyphenyl)ethyl]benzonitrile
CID 46195954
3-(phosphanylmethyl)benzonitrile
CID 143041927
3-(3-methylpentyl)benzonitrile
CID 57198276
4-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]phenol
CID 71156678
3-(2,2-dimethylbutyl)benzonitrile
CID 89172162
3-[1-hydroxy-1-(3-propylphenyl)ethyl]benzonitrile
CID 116542774
3-but-3-ynylbenzonitrile
CID 54192305
3-(2-cyano-2-ethylbutyl)benzonitrile
CID 82111107
3-(2-ethyl-2-methyloctyl)benzonitrile
CID 135265138

Frequently Asked Questions

What is the IUPAC name of 3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]benzonitrile?
The IUPAC name of 3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]benzonitrile (CID 70998788) is 3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]benzonitrile.
What is the SMILES notation for 3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]benzonitrile?
The canonical SMILES for 3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]benzonitrile is CC(C)(CCc1cccc(C#N)c1)[Si](C)(C)O.
What is the InChIKey of 3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]benzonitrile?
The InChIKey is UNUPWQNAZNRTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOSi/c1-14(2,17(3,4)16)9-8-12-6-5-7-13(10-12)11-15/h5-7,10,16H,8-9H2,1-4H3.
What are the key properties of 3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]benzonitrile?
3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]benzonitrile has a molecular weight of 247.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]benzonitrile is sourced from PubChem (CID 70998788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).