cyclohexyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tris(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;tris((1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate);methane;methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate

C166H312O21 — CID 159963095

IUPACcyclohexyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tris(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;tris((1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate);methane;methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC1CC(CC)C2C3CC(CC3C(=O)O)C12.CCC1CC(CC)C2C3CC(CC3C(=O)OC)C12.CCC1CC(CC)C2C3CC(CC3C(=O)OC3(CC)CCCC3)C12.CCC1CC(CC)C2C3CC(CC3C(=O)OC3(CC)CCCC3)C12.CCC1CC(CC)C2C3CC(CC3C(=O)OC3(CC)CCCC3)C12.CCC1CC(CC)C2C3CC(CC3C(=O)OC3CCCCC3)C12.CCC1OC(CC)C2C(=O)OCC12.CCC1OC(CC)C2C(=O)OCC12.CCC1OC(CC)C2C(=O)OCC12
InChIInChI=1S/3C22H36O2.C21H34O2.C16H26O2.C15H24O2.3C10H16O3.18CH4/c3*1-4-14-11-15(5-2)20-17-12-16(19(14)20)13-18(17)21(23)24-22(6-3)9-7-8-10-22;1-3-13-10-14(4-2)20-17-11-15(19(13)20)12-18(17)21(22)23-16-8-6-5-7-9-16;1-4-9-6-10(5-2)15-12-7-11(14(9)15)8-13(12)16(17)18-3;1-3-8-5-9(4-2)14-11-6-10(13(8)14)7-12(11)15(16)17;3*1-3-7-6-5-12-10(11)9(6)8(4-2)13-7;;;;;;;;;;;;;;;;;;/h3*14-20H,4-13H2,1-3H3;13-20H,3-12H2,1-2H3;9-15H,4-8H2,1-3H3;8-14H,3-7H2,1-2H3,(H,16,17);3*6-9H,3-5H2,1-2H3;18*1H4
InChIKeyODOTUHHZLTYDNE-UHFFFAOYSA-N
MW2644.30 g/mol
LogP44.46
Rot. Bonds31

About cyclohexyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tris(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;tris((1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate);methane;methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate

cyclohexyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tris(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;tris((1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate);methane;methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate (PubChem CID 159963095) has the molecular formula C166H312O21 and a molecular weight of 2644.30 g/mol. Its IUPAC name is cyclohexyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tris(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;tris((1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate);methane;methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate.

Molecular Properties

Compound Namecyclohexyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tris(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;tris((1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate);methane;methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate
PubChem CID159963095
Molecular FormulaC166H312O21
Molecular Weight2644.30 g/mol
Exact Mass2642.33
IUPAC Namecyclohexyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tris(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;tris((1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate);methane;methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC1CC(CC)C2C3CC(CC3C(=O)O)C12.CCC1CC(CC)C2C3CC(CC3C(=O)OC)C12.CCC1CC(CC)C2C3CC(CC3C(=O)OC3(CC)CCCC3)C12.CCC1CC(CC)C2C3CC(CC3C(=O)OC3(CC)CCCC3)C12.CCC1CC(CC)C2C3CC(CC3C(=O)OC3(CC)CCCC3)C12.CCC1CC(CC)C2C3CC(CC3C(=O)OC3CCCCC3)C12.CCC1OC(CC)C2C(=O)OCC12.CCC1OC(CC)C2C(=O)OCC12.CCC1OC(CC)C2C(=O)OCC12
InChIInChI=1S/3C22H36O2.C21H34O2.C16H26O2.C15H24O2.3C10H16O3.18CH4/c3*1-4-14-11-15(5-2)20-17-12-16(19(14)20)13-18(17)21(23)24-22(6-3)9-7-8-10-22;1-3-13-10-14(4-2)20-17-11-15(19(13)20)12-18(17)21(22)23-16-8-6-5-7-9-16;1-4-9-6-10(5-2)15-12-7-11(14(9)15)8-13(12)16(17)18-3;1-3-8-5-9(4-2)14-11-6-10(13(8)14)7-12(11)15(16)17;3*1-3-7-6-5-12-10(11)9(6)8(4-2)13-7;;;;;;;;;;;;;;;;;;/h3*14-20H,4-13H2,1-3H3;13-20H,3-12H2,1-2H3;9-15H,4-8H2,1-3H3;8-14H,3-7H2,1-2H3,(H,16,17);3*6-9H,3-5H2,1-2H3;18*1H4
InChIKeyODOTUHHZLTYDNE-UHFFFAOYSA-N
XLogP44.46
TPSA275.39 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds31
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002644.30
LogP ≤ 544.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze cyclohexyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tris(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;tris((1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate);methane;methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate 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

bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;tris(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);bis((1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate);(1-methylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate
CID 158569339
tert-butyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tetrakis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);tetrakis(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);(1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;2-methylbutan-2-yl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;(1-methylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate
CID 162243735
bis(tert-butyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate);4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one;tris(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);bis(3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid);methane;2-methylbutan-2-yl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;(1-methylcyclopentyl) 2,4-diethylcyclopentane-1-carboxylate
CID 158069345
tert-butyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;bis(4,6-diethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one);bis(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);methane;bis(2-methylbutan-2-yl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate);(1-methylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate
CID 157334926
tert-butyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;(1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate
CID 91021133
(1-ethylcyclopentyl) 9-methyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 90329150
(4,4-dimethyl-2-oxooxolan-3-yl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate
CID 54545857
(2-oxooxolan-3-yl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate
CID 54475485
8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate
CID 21351612
3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate
CID 90764380
(1-ethylcyclooctyl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 172737418
(1-methylcyclohexyl) 5,7-diethyl-6-oxaheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane-14-carboxylate
CID 70933073

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tris(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;tris((1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate);methane;methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate?
The IUPAC name of cyclohexyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tris(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;tris((1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate);methane;methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate (CID 159963095) is cyclohexyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tris(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;tris((1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate);methane;methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate.
What is the SMILES notation for cyclohexyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tris(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;tris((1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate);methane;methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate?
The canonical SMILES for cyclohexyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tris(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;tris((1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate);methane;methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC1CC(CC)C2C3CC(CC3C(=O)O)C12.CCC1CC(CC)C2C3CC(CC3C(=O)OC)C12.CCC1CC(CC)C2C3CC(CC3C(=O)OC3(CC)CCCC3)C12.CCC1CC(CC)C2C3CC(CC3C(=O)OC3(CC)CCCC3)C12.CCC1CC(CC)C2C3CC(CC3C(=O)OC3(CC)CCCC3)C12.CCC1CC(CC)C2C3CC(CC3C(=O)OC3CCCCC3)C12.CCC1OC(CC)C2C(=O)OCC12.CCC1OC(CC)C2C(=O)OCC12.CCC1OC(CC)C2C(=O)OCC12.
What is the InChIKey of cyclohexyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tris(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;tris((1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate);methane;methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate?
The InChIKey is ODOTUHHZLTYDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H36O2.C21H34O2.C16H26O2.C15H24O2.3C10H16O3.18CH4/c3*1-4-14-11-15(5-2)20-17-12-16(19(14)20)13-18(17)21(23)24-22(6-3)9-7-8-10-22;1-3-13-10-14(4-2)20-17-11-15(19(13)20)12-18(17)21(22)23-16-8-6-5-7-9-16;1-4-9-6-10(5-2)15-12-7-11(14(9)15)8-13(12)16(17)18-3;1-3-8-5-9(4-2)14-11-6-10(13(8)14)7-12(11)15(16)17;3*1-3-7-6-5-12-10(11)9(6)8(4-2)13-7;;;;;;;;;;;;;;;;;;/h3*14-20H,4-13H2,1-3H3;13-20H,3-12H2,1-2H3;9-15H,4-8H2,1-3H3;8-14H,3-7H2,1-2H3,(H,16,17);3*6-9H,3-5H2,1-2H3;18*1H4.
What are the key properties of cyclohexyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tris(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;tris((1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate);methane;methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate?
cyclohexyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tris(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;tris((1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate);methane;methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate has a molecular weight of 2644.30 g/mol, XLogP of 44.46, 31 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate;tris(4,6-diethyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one);3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;tris((1-ethylcyclopentyl) 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate);methane;methyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate is sourced from PubChem (CID 159963095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).