tetramethyl (4E,5Z)-4-ethylidene-5-(1-triethylsilylethylidene)cyclohexane-1,1,2,2-tetracarboxylate

C24H38O8Si — CID 101217895

IUPACtetramethyl (4E,5Z)-4-ethylidene-5-(1-triethylsilylethylidene)cyclohexane-1,1,2,2-tetracarboxylate
SMILESC/C=C1\CC(C(=O)OC)(C(=O)OC)C(C(=O)OC)(C(=O)OC)C\C1=C(/C)[Si](CC)(CC)CC
InChIInChI=1S/C24H38O8Si/c1-10-17-14-23(19(25)29-6,20(26)30-7)24(21(27)31-8,22(28)32-9)15-18(17)16(5)33(11-2,12-3)13-4/h10H,11-15H2,1-9H3/b17-10+,18-16-
InChIKeyWHCOQSDQEYXTCU-IUMGADTDSA-N
MW482.65 g/mol
LogP3.76
Rot. Bonds8

About tetramethyl (4E,5Z)-4-ethylidene-5-(1-triethylsilylethylidene)cyclohexane-1,1,2,2-tetracarboxylate

tetramethyl (4E,5Z)-4-ethylidene-5-(1-triethylsilylethylidene)cyclohexane-1,1,2,2-tetracarboxylate (PubChem CID 101217895) has the molecular formula C24H38O8Si and a molecular weight of 482.65 g/mol. Its IUPAC name is tetramethyl (4E,5Z)-4-ethylidene-5-(1-triethylsilylethylidene)cyclohexane-1,1,2,2-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl (4E,5Z)-4-ethylidene-5-(1-triethylsilylethylidene)cyclohexane-1,1,2,2-tetracarboxylate
PubChem CID101217895
Molecular FormulaC24H38O8Si
Molecular Weight482.65 g/mol
Exact Mass482.23
IUPAC Nametetramethyl (4E,5Z)-4-ethylidene-5-(1-triethylsilylethylidene)cyclohexane-1,1,2,2-tetracarboxylate
SMILESC/C=C1\CC(C(=O)OC)(C(=O)OC)C(C(=O)OC)(C(=O)OC)C\C1=C(/C)[Si](CC)(CC)CC
InChIInChI=1S/C24H38O8Si/c1-10-17-14-23(19(25)29-6,20(26)30-7)24(21(27)31-8,22(28)32-9)15-18(17)16(5)33(11-2,12-3)13-4/h10H,11-15H2,1-9H3/b17-10+,18-16-
InChIKeyWHCOQSDQEYXTCU-IUMGADTDSA-N
XLogP3.76
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetramethyl (4E,5Z)-4-ethylidene-5-(1-triethylsilylethylidene)cyclohexane-1,1,2,2-tetracarboxylate?
The IUPAC name of tetramethyl (4E,5Z)-4-ethylidene-5-(1-triethylsilylethylidene)cyclohexane-1,1,2,2-tetracarboxylate (CID 101217895) is tetramethyl (4E,5Z)-4-ethylidene-5-(1-triethylsilylethylidene)cyclohexane-1,1,2,2-tetracarboxylate.
What is the SMILES notation for tetramethyl (4E,5Z)-4-ethylidene-5-(1-triethylsilylethylidene)cyclohexane-1,1,2,2-tetracarboxylate?
The canonical SMILES for tetramethyl (4E,5Z)-4-ethylidene-5-(1-triethylsilylethylidene)cyclohexane-1,1,2,2-tetracarboxylate is C/C=C1\CC(C(=O)OC)(C(=O)OC)C(C(=O)OC)(C(=O)OC)C\C1=C(/C)[Si](CC)(CC)CC.
What is the InChIKey of tetramethyl (4E,5Z)-4-ethylidene-5-(1-triethylsilylethylidene)cyclohexane-1,1,2,2-tetracarboxylate?
The InChIKey is WHCOQSDQEYXTCU-IUMGADTDSA-N. The full InChI is InChI=1S/C24H38O8Si/c1-10-17-14-23(19(25)29-6,20(26)30-7)24(21(27)31-8,22(28)32-9)15-18(17)16(5)33(11-2,12-3)13-4/h10H,11-15H2,1-9H3/b17-10+,18-16-.
What are the key properties of tetramethyl (4E,5Z)-4-ethylidene-5-(1-triethylsilylethylidene)cyclohexane-1,1,2,2-tetracarboxylate?
tetramethyl (4E,5Z)-4-ethylidene-5-(1-triethylsilylethylidene)cyclohexane-1,1,2,2-tetracarboxylate has a molecular weight of 482.65 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl (4E,5Z)-4-ethylidene-5-(1-triethylsilylethylidene)cyclohexane-1,1,2,2-tetracarboxylate is sourced from PubChem (CID 101217895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).