tetraethyl (5Z)-4-methylidene-5-(triethylsilylmethylidene)cyclohexane-1,1,2,2-tetracarboxylate

C26H42O8Si — CID 11272200

IUPACtetraethyl (5Z)-4-methylidene-5-(triethylsilylmethylidene)cyclohexane-1,1,2,2-tetracarboxylate
SMILESC=C1CC(C(=O)OCC)(C(=O)OCC)C(C(=O)OCC)(C(=O)OCC)C/C1=C/[Si](CC)(CC)CC
InChIInChI=1S/C26H42O8Si/c1-9-31-21(27)25(22(28)32-10-2)16-19(8)20(18-35(13-5,14-6)15-7)17-26(25,23(29)33-11-3)24(30)34-12-4/h18H,8-17H2,1-7H3/b20-18-
InChIKeyJTHXOTFFBIJCLE-ZZEZOPTASA-N
MW510.70 g/mol
LogP4.54
Rot. Bonds12

About tetraethyl (5Z)-4-methylidene-5-(triethylsilylmethylidene)cyclohexane-1,1,2,2-tetracarboxylate

tetraethyl (5Z)-4-methylidene-5-(triethylsilylmethylidene)cyclohexane-1,1,2,2-tetracarboxylate (PubChem CID 11272200) has the molecular formula C26H42O8Si and a molecular weight of 510.70 g/mol. Its IUPAC name is tetraethyl (5Z)-4-methylidene-5-(triethylsilylmethylidene)cyclohexane-1,1,2,2-tetracarboxylate.

Molecular Properties

Compound Nametetraethyl (5Z)-4-methylidene-5-(triethylsilylmethylidene)cyclohexane-1,1,2,2-tetracarboxylate
PubChem CID11272200
Molecular FormulaC26H42O8Si
Molecular Weight510.70 g/mol
Exact Mass510.26
IUPAC Nametetraethyl (5Z)-4-methylidene-5-(triethylsilylmethylidene)cyclohexane-1,1,2,2-tetracarboxylate
SMILESC=C1CC(C(=O)OCC)(C(=O)OCC)C(C(=O)OCC)(C(=O)OCC)C/C1=C/[Si](CC)(CC)CC
InChIInChI=1S/C26H42O8Si/c1-9-31-21(27)25(22(28)32-10-2)16-19(8)20(18-35(13-5,14-6)15-7)17-26(25,23(29)33-11-3)24(30)34-12-4/h18H,8-17H2,1-7H3/b20-18-
InChIKeyJTHXOTFFBIJCLE-ZZEZOPTASA-N
XLogP4.54
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.70
LogP ≤ 54.54
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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Related Compounds

diethyl 2-[(3E)-3-(trimethylsilylmethylidene)nonan-2-yl]propanedioate
CID 10992304
tetraethyl (5E)-4-methylidene-5-(triethylsilylmethylidene)cyclohexane-1,1,2,2-tetracarboxylate
CID 11135001
tetraethyl (5E)-4-methylidene-5-(2-methylpropylidene)cyclohexane-1,1,2,2-tetracarboxylate
CID 24971201
tetramethyl (4E,5Z)-4-ethylidene-5-(1-triethylsilylethylidene)cyclohexane-1,1,2,2-tetracarboxylate
CID 101217895
dimethyl (2S)-2-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]cyclohexane-1,1-dicarboxylate
CID 101738779
tetraethyl (4E)-4-ethylidene-5-methylidenecyclohexane-1,1,2,2-tetracarboxylate
CID 101863081
tetraethyl (4E)-4-butylidene-5-methylidenecyclohexane-1,1,2,2-tetracarboxylate
CID 101863082
dimethyl (2S)-2-[(Z)-2-[tert-butyl(dimethyl)silyl]ethenyl]cyclohexane-1,1-dicarboxylate
CID 177386003

Frequently Asked Questions

What is the IUPAC name of tetraethyl (5Z)-4-methylidene-5-(triethylsilylmethylidene)cyclohexane-1,1,2,2-tetracarboxylate?
The IUPAC name of tetraethyl (5Z)-4-methylidene-5-(triethylsilylmethylidene)cyclohexane-1,1,2,2-tetracarboxylate (CID 11272200) is tetraethyl (5Z)-4-methylidene-5-(triethylsilylmethylidene)cyclohexane-1,1,2,2-tetracarboxylate.
What is the SMILES notation for tetraethyl (5Z)-4-methylidene-5-(triethylsilylmethylidene)cyclohexane-1,1,2,2-tetracarboxylate?
The canonical SMILES for tetraethyl (5Z)-4-methylidene-5-(triethylsilylmethylidene)cyclohexane-1,1,2,2-tetracarboxylate is C=C1CC(C(=O)OCC)(C(=O)OCC)C(C(=O)OCC)(C(=O)OCC)C/C1=C/[Si](CC)(CC)CC.
What is the InChIKey of tetraethyl (5Z)-4-methylidene-5-(triethylsilylmethylidene)cyclohexane-1,1,2,2-tetracarboxylate?
The InChIKey is JTHXOTFFBIJCLE-ZZEZOPTASA-N. The full InChI is InChI=1S/C26H42O8Si/c1-9-31-21(27)25(22(28)32-10-2)16-19(8)20(18-35(13-5,14-6)15-7)17-26(25,23(29)33-11-3)24(30)34-12-4/h18H,8-17H2,1-7H3/b20-18-.
What are the key properties of tetraethyl (5Z)-4-methylidene-5-(triethylsilylmethylidene)cyclohexane-1,1,2,2-tetracarboxylate?
tetraethyl (5Z)-4-methylidene-5-(triethylsilylmethylidene)cyclohexane-1,1,2,2-tetracarboxylate has a molecular weight of 510.70 g/mol, XLogP of 4.54, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethyl (5Z)-4-methylidene-5-(triethylsilylmethylidene)cyclohexane-1,1,2,2-tetracarboxylate is sourced from PubChem (CID 11272200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).