4-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid

C17H26O5Si — CID 175932235

IUPAC4-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid
SMILESC=C(C)C1=CC(C(=O)O)C(COCC[Si](C)(C)C)(C(=O)O)C=C1
InChIInChI=1S/C17H26O5Si/c1-12(2)13-6-7-17(16(20)21,14(10-13)15(18)19)11-22-8-9-23(3,4)5/h6-7,10,14H,1,8-9,11H2,2-5H3,(H,18,19)(H,20,21)
InChIKeyJHPXBGSCPZNNPI-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.19
Rot. Bonds8

About 4-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid

4-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid (PubChem CID 175932235) has the molecular formula C17H26O5Si and a molecular weight of 338.48 g/mol. Its IUPAC name is 4-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid.

Molecular Properties

Compound Name4-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid
PubChem CID175932235
Molecular FormulaC17H26O5Si
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name4-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid
SMILESC=C(C)C1=CC(C(=O)O)C(COCC[Si](C)(C)C)(C(=O)O)C=C1
InChIInChI=1S/C17H26O5Si/c1-12(2)13-6-7-17(16(20)21,14(10-13)15(18)19)11-22-8-9-23(3,4)5/h6-7,10,14H,1,8-9,11H2,2-5H3,(H,18,19)(H,20,21)
InChIKeyJHPXBGSCPZNNPI-UHFFFAOYSA-N
XLogP3.19
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid 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 4-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid?
The IUPAC name of 4-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid (CID 175932235) is 4-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid.
What is the SMILES notation for 4-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid?
The canonical SMILES for 4-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid is C=C(C)C1=CC(C(=O)O)C(COCC[Si](C)(C)C)(C(=O)O)C=C1.
What is the InChIKey of 4-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid?
The InChIKey is JHPXBGSCPZNNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O5Si/c1-12(2)13-6-7-17(16(20)21,14(10-13)15(18)19)11-22-8-9-23(3,4)5/h6-7,10,14H,1,8-9,11H2,2-5H3,(H,18,19)(H,20,21).
What are the key properties of 4-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid?
4-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid has a molecular weight of 338.48 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-en-2-yl-1-(2-trimethylsilylethoxymethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid is sourced from PubChem (CID 175932235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).