4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde

C15H16Cl2O2SSi — CID 131745435

IUPAC4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde
SMILESC[Si](C)(C)OC(c1cccc(Cl)c1)c1sc(C=O)cc1Cl
InChIInChI=1S/C15H16Cl2O2SSi/c1-21(2,3)19-14(10-5-4-6-11(16)7-10)15-13(17)8-12(9-18)20-15/h4-9,14H,1-3H3
InChIKeyNOZRWFOCCBHNGL-UHFFFAOYSA-N
MW359.35 g/mol
LogP5.81
Rot. Bonds5

About 4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde

4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde (PubChem CID 131745435) has the molecular formula C15H16Cl2O2SSi and a molecular weight of 359.35 g/mol. Its IUPAC name is 4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde
PubChem CID131745435
Molecular FormulaC15H16Cl2O2SSi
Molecular Weight359.35 g/mol
Exact Mass358.00
IUPAC Name4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde
SMILESC[Si](C)(C)OC(c1cccc(Cl)c1)c1sc(C=O)cc1Cl
InChIInChI=1S/C15H16Cl2O2SSi/c1-21(2,3)19-14(10-5-4-6-11(16)7-10)15-13(17)8-12(9-18)20-15/h4-9,14H,1-3H3
InChIKeyNOZRWFOCCBHNGL-UHFFFAOYSA-N
XLogP5.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.35
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromothiophen-2-yl)-1,3-dioxolane;3-chlorobenzaldehyde;4-chloro-5-[(3-chlorophenyl)-hydroxymethyl]thiophene-2-carbaldehyde;4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde;chlorocopper;2-(4-chlorothiophen-2-yl)-1,3-dioxolane;deuterio(fluoro)methane;methane
CID 161027154
(2R)-2-(3-chlorophenyl)-2-hydroxyacetaldehyde
CID 140582980
2-(3-chlorophenyl)-2-sulfanylacetaldehyde
CID 173459675
5-chloro-4-(3-chlorophenyl)sulfanylthiophene-2-carbaldehyde;[5-chloro-4-(3-chlorophenyl)sulfanylthiophen-2-yl]methanol
CID 160799410
1-chloro-3-(1-methoxyethyl)benzene
CID 19931374
propyl 2-(3-chlorophenyl)-2-fluoroacetate
CID 74325018
2-(3-chlorophenyl)-2-(1-methylpyrrolidin-3-yl)acetaldehyde
CID 105499902
2-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazole-5-carbaldehyde
CID 66148112
3-chloro-4-[1-(3-chlorophenyl)ethyl-methylamino]benzaldehyde
CID 81145827
3-(3-chlorophenyl)-3-phenylpropanal
CID 19076021
1-chloro-3-(1,1,1-trifluoropropan-2-yl)benzene
CID 83381765
[(3-chlorophenyl)-(4-chlorophenyl)methyl] 2-methylprop-2-enoate
CID 89393374

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde?
The IUPAC name of 4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde (CID 131745435) is 4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde?
The canonical SMILES for 4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde is C[Si](C)(C)OC(c1cccc(Cl)c1)c1sc(C=O)cc1Cl.
What is the InChIKey of 4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde?
The InChIKey is NOZRWFOCCBHNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2O2SSi/c1-21(2,3)19-14(10-5-4-6-11(16)7-10)15-13(17)8-12(9-18)20-15/h4-9,14H,1-3H3.
What are the key properties of 4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde?
4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde has a molecular weight of 359.35 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 131745435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).