(2S)-2-(2-bromophenyl)-2-trimethylsilyloxypent-4-enenitrile

C14H18BrNOSi — CID 122391965

IUPAC(2S)-2-(2-bromophenyl)-2-trimethylsilyloxypent-4-enenitrile
SMILESC=CC[C@](C#N)(O[Si](C)(C)C)c1ccccc1Br
InChIInChI=1S/C14H18BrNOSi/c1-5-10-14(11-16,17-18(2,3)4)12-8-6-7-9-13(12)15/h5-9H,1,10H2,2-4H3/t14-/m1/s1
InChIKeyYTVVUAIZXANAEI-CQSZACIVSA-N
MW324.29 g/mol
LogP4.60
Rot. Bonds5

About (2S)-2-(2-bromophenyl)-2-trimethylsilyloxypent-4-enenitrile

(2S)-2-(2-bromophenyl)-2-trimethylsilyloxypent-4-enenitrile (PubChem CID 122391965) has the molecular formula C14H18BrNOSi and a molecular weight of 324.29 g/mol. Its IUPAC name is (2S)-2-(2-bromophenyl)-2-trimethylsilyloxypent-4-enenitrile.

Molecular Properties

Compound Name(2S)-2-(2-bromophenyl)-2-trimethylsilyloxypent-4-enenitrile
PubChem CID122391965
Molecular FormulaC14H18BrNOSi
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name(2S)-2-(2-bromophenyl)-2-trimethylsilyloxypent-4-enenitrile
SMILESC=CC[C@](C#N)(O[Si](C)(C)C)c1ccccc1Br
InChIInChI=1S/C14H18BrNOSi/c1-5-10-14(11-16,17-18(2,3)4)12-8-6-7-9-13(12)15/h5-9H,1,10H2,2-4H3/t14-/m1/s1
InChIKeyYTVVUAIZXANAEI-CQSZACIVSA-N
XLogP4.60
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11368390
[2-(4-Bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane
CID 71211635
2-Bromo-5-fluorobenzyl alcohol, (3-cyanopropyl)dimethylsilyl ether
CID 91739655
2-(2-Fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11149090
(2R)-2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11172442
2-Phenyl-2-trimethylsiloxy-3,3-dimethylbutyronitrile
CID 12439568
2-Phenyl-2-trimethylsilyloxypropanenitrile
CID 9899312
(2R)-2-phenyl-2-trimethylsilyloxypropanenitrile
CID 11183590
2-(2-Methylphenyl)-2-trimethylsilyloxypropanenitrile
CID 11608333
2-(4-Methylphenyl)-2-trimethylsilyloxypropanenitrile
CID 12439565
2-(4-Bromophenyl)-2-trimethylsilyloxypropanenitrile
CID 19424686
2-(4-Bromophenyl)-2-((trimethylsilyl)oxy)acetonitrile
CID 24798836

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-bromophenyl)-2-trimethylsilyloxypent-4-enenitrile?
The IUPAC name of (2S)-2-(2-bromophenyl)-2-trimethylsilyloxypent-4-enenitrile (CID 122391965) is (2S)-2-(2-bromophenyl)-2-trimethylsilyloxypent-4-enenitrile.
What is the SMILES notation for (2S)-2-(2-bromophenyl)-2-trimethylsilyloxypent-4-enenitrile?
The canonical SMILES for (2S)-2-(2-bromophenyl)-2-trimethylsilyloxypent-4-enenitrile is C=CC[C@](C#N)(O[Si](C)(C)C)c1ccccc1Br.
What is the InChIKey of (2S)-2-(2-bromophenyl)-2-trimethylsilyloxypent-4-enenitrile?
The InChIKey is YTVVUAIZXANAEI-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18BrNOSi/c1-5-10-14(11-16,17-18(2,3)4)12-8-6-7-9-13(12)15/h5-9H,1,10H2,2-4H3/t14-/m1/s1.
What are the key properties of (2S)-2-(2-bromophenyl)-2-trimethylsilyloxypent-4-enenitrile?
(2S)-2-(2-bromophenyl)-2-trimethylsilyloxypent-4-enenitrile has a molecular weight of 324.29 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-bromophenyl)-2-trimethylsilyloxypent-4-enenitrile is sourced from PubChem (CID 122391965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).