CID 153430218

C21H23O4Si — CID 153430218

IUPAC—
SMILESCOC(=O)/C(=C\C(=O)O[Si](c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H23O4Si/c1-21(2,3)18(20(23)24-4)15-19(22)25-26(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15H,1-4H3/b18-15+
InChIKeyLTRCGCHZSWAPMV-OBGWFSINSA-N
MW367.50 g/mol
LogP2.48
Rot. Bonds5

About CID 153430218

CID 153430218 (PubChem CID 153430218) has the molecular formula C21H23O4Si and a molecular weight of 367.50 g/mol.

Molecular Properties

Compound NameCID 153430218
PubChem CID153430218
Molecular FormulaC21H23O4Si
Molecular Weight367.50 g/mol
Exact Mass367.14
IUPAC Name—
SMILESCOC(=O)/C(=C\C(=O)O[Si](c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H23O4Si/c1-21(2,3)18(20(23)24-4)15-19(22)25-26(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15H,1-4H3/b18-15+
InChIKeyLTRCGCHZSWAPMV-OBGWFSINSA-N
XLogP2.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze CID 153430218 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 21057494
CID 21057494
dimethyl (Z)-2-phenylmethoxybut-2-enedioate
CID 10988690
dimethyl 2-(1,1-difluoroethyl)but-2-enedioate
CID 123798903
methyl (E)-2-methyl-4-oxo-4-phenylbut-2-enoate
CID 641404
1-methoxy-4,4-dimethyl-1-phenylpent-1-en-3-one
CID 72743571
methyl 2-oxo-3,3-diphenylbutanoate
CID 44668509
dimethyl 4-(anilinomethylidene)pent-2-enedioate
CID 3660146
methyl 2-oxo-2-phenylacetate;nitroxyl
CID 172720309
methyl (Z)-2-hydroxy-4-[4-[[(E)-3-hydroxy-4-methoxy-4-oxobut-2-enoyl]amino]anilino]-4-oxobut-2-enoate
CID 134489839
dimethyl 2-[(Z)-2-amino-3-methyl-3-(phenylmethoxycarbonylamino)but-1-enyl]but-2-enedioate
CID 173478356
methyl 2-benzylprop-2-enoate;methyl 3,3-dimethyl-2-methylidenebutanoate
CID 174801501
CID 136862862
CID 136862862

Frequently Asked Questions

What is the IUPAC name of CID 153430218?
The IUPAC name of CID 153430218 (CID 153430218) is not available.
What is the SMILES notation for CID 153430218?
The canonical SMILES for CID 153430218 is COC(=O)/C(=C\C(=O)O[Si](c1ccccc1)c1ccccc1)C(C)(C)C.
What is the InChIKey of CID 153430218?
The InChIKey is LTRCGCHZSWAPMV-OBGWFSINSA-N. The full InChI is InChI=1S/C21H23O4Si/c1-21(2,3)18(20(23)24-4)15-19(22)25-26(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15H,1-4H3/b18-15+.
What are the key properties of CID 153430218?
CID 153430218 has a molecular weight of 367.50 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153430218 is sourced from PubChem (CID 153430218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).