3-chloro-4-(2-trimethylsilylethenyl)benzaldehyde

C12H15ClOSi — CID 169082419

IUPAC3-chloro-4-(2-trimethylsilylethenyl)benzaldehyde
SMILESC[Si](C)(C)C=Cc1ccc(C=O)cc1Cl
InChIInChI=1S/C12H15ClOSi/c1-15(2,3)7-6-11-5-4-10(9-14)8-12(11)13/h4-9H,1-3H3
InChIKeyIRJJAOXQPYGGHQ-UHFFFAOYSA-N
MW238.79 g/mol
LogP4.04
Rot. Bonds3

About 3-chloro-4-(2-trimethylsilylethenyl)benzaldehyde

3-chloro-4-(2-trimethylsilylethenyl)benzaldehyde (PubChem CID 169082419) has the molecular formula C12H15ClOSi and a molecular weight of 238.79 g/mol. Its IUPAC name is 3-chloro-4-(2-trimethylsilylethenyl)benzaldehyde.

Molecular Properties

Compound Name3-chloro-4-(2-trimethylsilylethenyl)benzaldehyde
PubChem CID169082419
Molecular FormulaC12H15ClOSi
Molecular Weight238.79 g/mol
Exact Mass238.06
IUPAC Name3-chloro-4-(2-trimethylsilylethenyl)benzaldehyde
SMILESC[Si](C)(C)C=Cc1ccc(C=O)cc1Cl
InChIInChI=1S/C12H15ClOSi/c1-15(2,3)7-6-11-5-4-10(9-14)8-12(11)13/h4-9H,1-3H3
InChIKeyIRJJAOXQPYGGHQ-UHFFFAOYSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.79
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(3-chloroprop-1-enyl)benzaldehyde
CID 169477223
3-chloro-4-(4-chlorobut-1-enyl)benzaldehyde
CID 170499030
4-chloroquinoline-6-carbaldehyde
CID 53417226
2,4-dichloroquinoline-6-carbaldehyde
CID 89405666
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
(2-chloro-4-formylphenyl)boronic acid
CID 53216420
4-chloroquinoline-7-carbaldehyde;methanol
CID 166488648
3-methyl-2,1-benzoxazole-6-carbaldehyde
CID 105431537
2-(2-chloro-4-formylphenyl)acetonitrile
CID 164915291
3-chloro-4-(2-methylpropyl)benzaldehyde
CID 86715140
[(E)-2-(4-tert-butylphenyl)ethenyl]-trimethylsilane
CID 102486403
3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobenzaldehyde
CID 86598025

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-trimethylsilylethenyl)benzaldehyde?
The IUPAC name of 3-chloro-4-(2-trimethylsilylethenyl)benzaldehyde (CID 169082419) is 3-chloro-4-(2-trimethylsilylethenyl)benzaldehyde.
What is the SMILES notation for 3-chloro-4-(2-trimethylsilylethenyl)benzaldehyde?
The canonical SMILES for 3-chloro-4-(2-trimethylsilylethenyl)benzaldehyde is C[Si](C)(C)C=Cc1ccc(C=O)cc1Cl.
What is the InChIKey of 3-chloro-4-(2-trimethylsilylethenyl)benzaldehyde?
The InChIKey is IRJJAOXQPYGGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClOSi/c1-15(2,3)7-6-11-5-4-10(9-14)8-12(11)13/h4-9H,1-3H3.
What are the key properties of 3-chloro-4-(2-trimethylsilylethenyl)benzaldehyde?
3-chloro-4-(2-trimethylsilylethenyl)benzaldehyde has a molecular weight of 238.79 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-trimethylsilylethenyl)benzaldehyde is sourced from PubChem (CID 169082419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).