CID 70585326

C25H26ClNO4Si — CID 70585326

IUPAC—
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)[Si]c2ccccc2)C1c1ccccc1Cl
InChIInChI=1S/C25H26ClNO4Si/c1-15-20(23(28)30-5)22(18-13-9-10-14-19(18)26)21(16(2)27-15)24(29)31-25(3,4)32-17-11-7-6-8-12-17/h6-14,22,27H,1-5H3
InChIKeyBPMBJUACFBKVMR-UHFFFAOYSA-N
MW468.03 g/mol
LogP4.06
Rot. Bonds6

About CID 70585326

CID 70585326 (PubChem CID 70585326) has the molecular formula C25H26ClNO4Si and a molecular weight of 468.03 g/mol.

Molecular Properties

Compound NameCID 70585326
PubChem CID70585326
Molecular FormulaC25H26ClNO4Si
Molecular Weight468.03 g/mol
Exact Mass467.13
IUPAC Name—
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)[Si]c2ccccc2)C1c1ccccc1Cl
InChIInChI=1S/C25H26ClNO4Si/c1-15-20(23(28)30-5)22(18-13-9-10-14-19(18)26)21(16(2)27-15)24(29)31-25(3,4)32-17-11-7-6-8-12-17/h6-14,22,27H,1-5H3
InChIKeyBPMBJUACFBKVMR-UHFFFAOYSA-N
XLogP4.06
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.03
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 70587831
CID 70587831
5-O-(2-methoxy-2-phenylethyl) 3-O-methyl 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 67923802
5-O-(1-cyanoethyl) 3-O-methyl 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 67923856
5-O-ethyl 3-O-methyl 4-(2-chlorophenyl)-2-(hydroxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 143117884
5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2-methyl-6-(113C)methyl-(5,6-13C2)1,4-dihydropyridine-3,5-dicarboxylate
CID 169440420
5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 3333
dimethyl 4-(2,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 982608
ditert-butyl 2,6-dimethyl-4-(2-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 143259739
methyl (4S)-4-(2-chlorophenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 6549459
3-O-ethyl 5-O-methyl 4-(2-chlorophenyl)-2-(3,3-dimethylbutoxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 20789398
dimethyl 2-(2-aminoethylsulfanylmethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 14569907
methyl 4-(2-chlorophenyl)-2,6-dimethyl-5-(4-propan-2-yloxyphenyl)sulfonyl-1,4-dihydropyridine-3-carboxylate
CID 19835231

Frequently Asked Questions

What is the IUPAC name of CID 70585326?
The IUPAC name of CID 70585326 (CID 70585326) is not available.
What is the SMILES notation for CID 70585326?
The canonical SMILES for CID 70585326 is COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)[Si]c2ccccc2)C1c1ccccc1Cl.
What is the InChIKey of CID 70585326?
The InChIKey is BPMBJUACFBKVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClNO4Si/c1-15-20(23(28)30-5)22(18-13-9-10-14-19(18)26)21(16(2)27-15)24(29)31-25(3,4)32-17-11-7-6-8-12-17/h6-14,22,27H,1-5H3.
What are the key properties of CID 70585326?
CID 70585326 has a molecular weight of 468.03 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70585326 is sourced from PubChem (CID 70585326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).