dimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate

C14H22O4Si — CID 12563480

IUPACdimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)CC(C[Si](C)(C)C)=CC1
InChIInChI=1S/C14H22O4Si/c1-17-13(15)11-7-6-10(9-19(3,4)5)8-12(11)14(16)18-2/h6H,7-9H2,1-5H3
InChIKeyHLMZQSCVLSAHAU-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.69
Rot. Bonds4

About dimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate

dimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate (PubChem CID 12563480) has the molecular formula C14H22O4Si and a molecular weight of 282.41 g/mol. Its IUPAC name is dimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate
PubChem CID12563480
Molecular FormulaC14H22O4Si
Molecular Weight282.41 g/mol
Exact Mass282.13
IUPAC Namedimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)CC(C[Si](C)(C)C)=CC1
InChIInChI=1S/C14H22O4Si/c1-17-13(15)11-7-6-10(9-19(3,4)5)8-12(11)14(16)18-2/h6H,7-9H2,1-5H3
InChIKeyHLMZQSCVLSAHAU-UHFFFAOYSA-N
XLogP2.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate?
The IUPAC name of dimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate (CID 12563480) is dimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate is COC(=O)C1=C(C(=O)OC)CC(C[Si](C)(C)C)=CC1.
What is the InChIKey of dimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate?
The InChIKey is HLMZQSCVLSAHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4Si/c1-17-13(15)11-7-6-10(9-19(3,4)5)8-12(11)14(16)18-2/h6H,7-9H2,1-5H3.
What are the key properties of dimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate?
dimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate has a molecular weight of 282.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(trimethylsilylmethyl)cyclohexa-1,4-diene-1,2-dicarboxylate is sourced from PubChem (CID 12563480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).