2-bromo-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile

C10H16BrNOSi — CID 86061848

IUPAC2-bromo-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)CCCC=C1Br
InChIInChI=1S/C10H16BrNOSi/c1-14(2,3)13-10(8-12)7-5-4-6-9(10)11/h6H,4-5,7H2,1-3H3
InChIKeyZHQDMFZPKJCTHC-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.56
Rot. Bonds2

About 2-bromo-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile

2-bromo-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile (PubChem CID 86061848) has the molecular formula C10H16BrNOSi and a molecular weight of 274.23 g/mol. Its IUPAC name is 2-bromo-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile.

Molecular Properties

Compound Name2-bromo-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
PubChem CID86061848
Molecular FormulaC10H16BrNOSi
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC Name2-bromo-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)CCCC=C1Br
InChIInChI=1S/C10H16BrNOSi/c1-14(2,3)13-10(8-12)7-5-4-6-9(10)11/h6H,4-5,7H2,1-3H3
InChIKeyZHQDMFZPKJCTHC-UHFFFAOYSA-N
XLogP3.56
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.56
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

2-Cyclohexene-1-carbonitrile, 1-[(trimethylsilyl)oxy]-
CID 11052550
(1R)-2-bromo-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
CID 101742523
1-[Tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1-carbonitrile
CID 86084805
(1S)-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
CID 101271354
(1S)-2-bromo-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
CID 101742524

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile?
The IUPAC name of 2-bromo-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile (CID 86061848) is 2-bromo-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile.
What is the SMILES notation for 2-bromo-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile?
The canonical SMILES for 2-bromo-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile is C[Si](C)(C)OC1(C#N)CCCC=C1Br.
What is the InChIKey of 2-bromo-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile?
The InChIKey is ZHQDMFZPKJCTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNOSi/c1-14(2,3)13-10(8-12)7-5-4-6-9(10)11/h6H,4-5,7H2,1-3H3.
What are the key properties of 2-bromo-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile?
2-bromo-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile has a molecular weight of 274.23 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile is sourced from PubChem (CID 86061848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).