diethyl 3-ethyl-4-(triethylsilylmethyl)cyclohexane-1,1-dicarboxylate

C21H40O4Si — CID 101010846

IUPACdiethyl 3-ethyl-4-(triethylsilylmethyl)cyclohexane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCC(C[Si](CC)(CC)CC)C(CC)C1
InChIInChI=1S/C21H40O4Si/c1-7-17-15-21(19(22)24-8-2,20(23)25-9-3)14-13-18(17)16-26(10-4,11-5)12-6/h17-18H,7-16H2,1-6H3
InChIKeyMWAVLQZRRUNTJL-UHFFFAOYSA-N
MW384.63 g/mol
LogP5.43
Rot. Bonds10

About diethyl 3-ethyl-4-(triethylsilylmethyl)cyclohexane-1,1-dicarboxylate

diethyl 3-ethyl-4-(triethylsilylmethyl)cyclohexane-1,1-dicarboxylate (PubChem CID 101010846) has the molecular formula C21H40O4Si and a molecular weight of 384.63 g/mol. Its IUPAC name is diethyl 3-ethyl-4-(triethylsilylmethyl)cyclohexane-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-ethyl-4-(triethylsilylmethyl)cyclohexane-1,1-dicarboxylate
PubChem CID101010846
Molecular FormulaC21H40O4Si
Molecular Weight384.63 g/mol
Exact Mass384.27
IUPAC Namediethyl 3-ethyl-4-(triethylsilylmethyl)cyclohexane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCC(C[Si](CC)(CC)CC)C(CC)C1
InChIInChI=1S/C21H40O4Si/c1-7-17-15-21(19(22)24-8-2,20(23)25-9-3)14-13-18(17)16-26(10-4,11-5)12-6/h17-18H,7-16H2,1-6H3
InChIKeyMWAVLQZRRUNTJL-UHFFFAOYSA-N
XLogP5.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.63
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze diethyl 3-ethyl-4-(triethylsilylmethyl)cyclohexane-1,1-dicarboxylate 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

trans-dimethyl (3R,4R)-3-ethyl-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate
CID 101039601
trans-dimethyl (3S,4R)-3-(2-triethylsilylethyl)-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate
CID 10671515
trans-dimethyl (3S,4R)-3-(2-methoxy-2-oxoethyl)-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate
CID 10500383
diethyl 3-phenylmethoxycyclopentane-1,1-dicarboxylate
CID 18970180
N-cyclohexylcyclohexanamine;1-ethoxycarbonylcyclopropane-1-carboxylic acid
CID 174978699
ethyl 1-carbamothioylcyclopropane-1-carboxylate
CID 155971303
ethyl (1S,6S)-7-methylbicyclo[4.1.0]heptane-7-carboxylate
CID 6932755
ethyl 1-(cyclopentylamino)cyclobutane-1-carboxylate
CID 62389815
ethyl 1-(cyclohexylamino)-3-ethylcyclopentane-1-carboxylate
CID 64514272
ethyl 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate
CID 175632090
ethyl 1-(cyclopentylamino)cyclooctane-1-carboxylate
CID 54892627
diethyl (3R)-4,4-dimethyl-3-[(2R)-4-oxobutan-2-yl]cyclohexane-1,1-dicarboxylate
CID 24823389

Frequently Asked Questions

What is the IUPAC name of diethyl 3-ethyl-4-(triethylsilylmethyl)cyclohexane-1,1-dicarboxylate?
The IUPAC name of diethyl 3-ethyl-4-(triethylsilylmethyl)cyclohexane-1,1-dicarboxylate (CID 101010846) is diethyl 3-ethyl-4-(triethylsilylmethyl)cyclohexane-1,1-dicarboxylate.
What is the SMILES notation for diethyl 3-ethyl-4-(triethylsilylmethyl)cyclohexane-1,1-dicarboxylate?
The canonical SMILES for diethyl 3-ethyl-4-(triethylsilylmethyl)cyclohexane-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CCC(C[Si](CC)(CC)CC)C(CC)C1.
What is the InChIKey of diethyl 3-ethyl-4-(triethylsilylmethyl)cyclohexane-1,1-dicarboxylate?
The InChIKey is MWAVLQZRRUNTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O4Si/c1-7-17-15-21(19(22)24-8-2,20(23)25-9-3)14-13-18(17)16-26(10-4,11-5)12-6/h17-18H,7-16H2,1-6H3.
What are the key properties of diethyl 3-ethyl-4-(triethylsilylmethyl)cyclohexane-1,1-dicarboxylate?
diethyl 3-ethyl-4-(triethylsilylmethyl)cyclohexane-1,1-dicarboxylate has a molecular weight of 384.63 g/mol, XLogP of 5.43, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-ethyl-4-(triethylsilylmethyl)cyclohexane-1,1-dicarboxylate is sourced from PubChem (CID 101010846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).