(3-cyano-3-triethylsilylpentan-2-yl)boronic acid

C12H26BNO2Si — CID 154146271

IUPAC(3-cyano-3-triethylsilylpentan-2-yl)boronic acid
SMILESCCC(C#N)(C(C)B(O)O)[Si](CC)(CC)CC
InChIInChI=1S/C12H26BNO2Si/c1-6-12(10-14,11(5)13(15)16)17(7-2,8-3)9-4/h11,15-16H,6-9H2,1-5H3
InChIKeyRULSCGIJJQNDFW-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.03
Rot. Bonds7

About (3-cyano-3-triethylsilylpentan-2-yl)boronic acid

(3-cyano-3-triethylsilylpentan-2-yl)boronic acid (PubChem CID 154146271) has the molecular formula C12H26BNO2Si and a molecular weight of 255.24 g/mol. Its IUPAC name is (3-cyano-3-triethylsilylpentan-2-yl)boronic acid.

Molecular Properties

Compound Name(3-cyano-3-triethylsilylpentan-2-yl)boronic acid
PubChem CID154146271
Molecular FormulaC12H26BNO2Si
Molecular Weight255.24 g/mol
Exact Mass255.18
IUPAC Name(3-cyano-3-triethylsilylpentan-2-yl)boronic acid
SMILESCCC(C#N)(C(C)B(O)O)[Si](CC)(CC)CC
InChIInChI=1S/C12H26BNO2Si/c1-6-12(10-14,11(5)13(15)16)17(7-2,8-3)9-4/h11,15-16H,6-9H2,1-5H3
InChIKeyRULSCGIJJQNDFW-UHFFFAOYSA-N
XLogP3.03
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-cyano-3-triethylsilylpentyl)boronic acid
CID 154162125
2,2-dimethylbutanenitrile;silicic acid
CID 175510249
(4-cyano-4-methylhexyl)boronic acid
CID 154170374
2,3-diethyl-2,3-bis(triethylsilyloxy)butanedinitrile
CID 101440699
2,2-dimethylbutanenitrile;ethane
CID 144998313
2,2-diaminobutanenitrile
CID 141036920
(3-cyano-4-trimethylsilylhexan-2-yl)boronic acid
CID 154164485
2-ethyl-4-hydroxy-2,3,4-trimethylheptanenitrile
CID 134854737
2-amino-2-(hydroxymethyl)butanenitrile
CID 122662800
2-(ethylamino)-3-methyl-2-propan-2-ylbutanenitrile
CID 141254263
2-butan-2-yl-2-hydroxy-3-methylpentanenitrile
CID 21399613
2-acetyl-2-ethyl-3-methylbutanenitrile
CID 141089775

Frequently Asked Questions

What is the IUPAC name of (3-cyano-3-triethylsilylpentan-2-yl)boronic acid?
The IUPAC name of (3-cyano-3-triethylsilylpentan-2-yl)boronic acid (CID 154146271) is (3-cyano-3-triethylsilylpentan-2-yl)boronic acid.
What is the SMILES notation for (3-cyano-3-triethylsilylpentan-2-yl)boronic acid?
The canonical SMILES for (3-cyano-3-triethylsilylpentan-2-yl)boronic acid is CCC(C#N)(C(C)B(O)O)[Si](CC)(CC)CC.
What is the InChIKey of (3-cyano-3-triethylsilylpentan-2-yl)boronic acid?
The InChIKey is RULSCGIJJQNDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26BNO2Si/c1-6-12(10-14,11(5)13(15)16)17(7-2,8-3)9-4/h11,15-16H,6-9H2,1-5H3.
What are the key properties of (3-cyano-3-triethylsilylpentan-2-yl)boronic acid?
(3-cyano-3-triethylsilylpentan-2-yl)boronic acid has a molecular weight of 255.24 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyano-3-triethylsilylpentan-2-yl)boronic acid is sourced from PubChem (CID 154146271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).