[(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[(4-propylcyclohexyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;methane

C105H198O18 — CID 165067171

IUPAC[(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[(4-propylcyclohexyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;methane
SMILESC.C.C.C.C.C.C.C.C.CCCC1CCC(CC2CCC(COO[C@H]3CO[C@@H]4C(OC(=O)C5CCC(CC)CC5)CO[C@H]34)CC2)CC1.CCCC1CCC(CC2CCC(COO[C@H]3CO[C@@H]4C(OC(=O)C5CCC(CC6CCC(CC)CC6)CC5)CO[C@H]34)CC2)CC1.CCCC1CCC(COO[C@H]2CO[C@@H]3C(OC(=O)C4CCC(CC)CC4)CO[C@H]23)CC1
InChIInChI=1S/C39H66O6.C32H54O6.C25H42O6.9CH4/c1-3-5-28-8-12-30(13-9-28)22-31-14-16-33(17-15-31)24-43-45-36-26-42-37-35(25-41-38(36)37)44-39(40)34-20-18-32(19-21-34)23-29-10-6-27(4-2)7-11-29;1-3-5-23-6-8-24(9-7-23)18-25-10-12-26(13-11-25)19-36-38-29-21-35-30-28(20-34-31(29)30)37-32(33)27-16-14-22(4-2)15-17-27;1-3-5-18-6-8-19(9-7-18)14-29-31-22-16-28-23-21(15-27-24(22)23)30-25(26)20-12-10-17(4-2)11-13-20;;;;;;;;;/h27-38H,3-26H2,1-2H3;22-31H,3-21H2,1-2H3;17-24H,3-16H2,1-2H3;9*1H4/t27?,28?,29?,30?,31?,32?,33?,34?,35?,36-,37+,38+;22?,23?,24?,25?,26?,27?,28?,29-,30+,31+;17?,18?,19?,20?,21?,22-,23+,24+;;;;;;;;;/m000........./s1
InChIKeySDVGBQITBACELC-CNQKYQAISA-N
MW1748.72 g/mol
LogP26.82
Rot. Bonds33

About [(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[(4-propylcyclohexyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;methane

[(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[(4-propylcyclohexyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;methane (PubChem CID 165067171) has the molecular formula C105H198O18 and a molecular weight of 1748.72 g/mol. Its IUPAC name is [(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[(4-propylcyclohexyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;methane.

Molecular Properties

Compound Name[(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[(4-propylcyclohexyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;methane
PubChem CID165067171
Molecular FormulaC105H198O18
Molecular Weight1748.72 g/mol
Exact Mass1747.46
IUPAC Name[(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[(4-propylcyclohexyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;methane
SMILESC.C.C.C.C.C.C.C.C.CCCC1CCC(CC2CCC(COO[C@H]3CO[C@@H]4C(OC(=O)C5CCC(CC)CC5)CO[C@H]34)CC2)CC1.CCCC1CCC(CC2CCC(COO[C@H]3CO[C@@H]4C(OC(=O)C5CCC(CC6CCC(CC)CC6)CC5)CO[C@H]34)CC2)CC1.CCCC1CCC(COO[C@H]2CO[C@@H]3C(OC(=O)C4CCC(CC)CC4)CO[C@H]23)CC1
InChIInChI=1S/C39H66O6.C32H54O6.C25H42O6.9CH4/c1-3-5-28-8-12-30(13-9-28)22-31-14-16-33(17-15-31)24-43-45-36-26-42-37-35(25-41-38(36)37)44-39(40)34-20-18-32(19-21-34)23-29-10-6-27(4-2)7-11-29;1-3-5-23-6-8-24(9-7-23)18-25-10-12-26(13-11-25)19-36-38-29-21-35-30-28(20-34-31(29)30)37-32(33)27-16-14-22(4-2)15-17-27;1-3-5-18-6-8-19(9-7-18)14-29-31-22-16-28-23-21(15-27-24(22)23)30-25(26)20-12-10-17(4-2)11-13-20;;;;;;;;;/h27-38H,3-26H2,1-2H3;22-31H,3-21H2,1-2H3;17-24H,3-16H2,1-2H3;9*1H4/t27?,28?,29?,30?,31?,32?,33?,34?,35?,36-,37+,38+;22?,23?,24?,25?,26?,27?,28?,29-,30+,31+;17?,18?,19?,20?,21?,22-,23+,24+;;;;;;;;;/m000........./s1
InChIKeySDVGBQITBACELC-CNQKYQAISA-N
XLogP26.82
TPSA189.66 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds33
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001748.72
LogP ≤ 526.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze [(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[(4-propylcyclohexyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[(4-propylcyclohexyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;methane?
The IUPAC name of [(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[(4-propylcyclohexyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;methane (CID 165067171) is [(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[(4-propylcyclohexyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;methane.
What is the SMILES notation for [(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[(4-propylcyclohexyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;methane?
The canonical SMILES for [(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[(4-propylcyclohexyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;methane is C.C.C.C.C.C.C.C.C.CCCC1CCC(CC2CCC(COO[C@H]3CO[C@@H]4C(OC(=O)C5CCC(CC)CC5)CO[C@H]34)CC2)CC1.CCCC1CCC(CC2CCC(COO[C@H]3CO[C@@H]4C(OC(=O)C5CCC(CC6CCC(CC)CC6)CC5)CO[C@H]34)CC2)CC1.CCCC1CCC(COO[C@H]2CO[C@@H]3C(OC(=O)C4CCC(CC)CC4)CO[C@H]23)CC1.
What is the InChIKey of [(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[(4-propylcyclohexyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;methane?
The InChIKey is SDVGBQITBACELC-CNQKYQAISA-N. The full InChI is InChI=1S/C39H66O6.C32H54O6.C25H42O6.9CH4/c1-3-5-28-8-12-30(13-9-28)22-31-14-16-33(17-15-31)24-43-45-36-26-42-37-35(25-41-38(36)37)44-39(40)34-20-18-32(19-21-34)23-29-10-6-27(4-2)7-11-29;1-3-5-23-6-8-24(9-7-23)18-25-10-12-26(13-11-25)19-36-38-29-21-35-30-28(20-34-31(29)30)37-32(33)27-16-14-22(4-2)15-17-27;1-3-5-18-6-8-19(9-7-18)14-29-31-22-16-28-23-21(15-27-24(22)23)30-25(26)20-12-10-17(4-2)11-13-20;;;;;;;;;/h27-38H,3-26H2,1-2H3;22-31H,3-21H2,1-2H3;17-24H,3-16H2,1-2H3;9*1H4/t27?,28?,29?,30?,31?,32?,33?,34?,35?,36-,37+,38+;22?,23?,24?,25?,26?,27?,28?,29-,30+,31+;17?,18?,19?,20?,21?,22-,23+,24+;;;;;;;;;/m000........./s1.
What are the key properties of [(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[(4-propylcyclohexyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;methane?
[(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[(4-propylcyclohexyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;methane has a molecular weight of 1748.72 g/mol, XLogP of 26.82, 33 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[[4-[(4-propylcyclohexyl)methyl]cyclohexyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxylate;[(3aR,6S,6aS)-6-[(4-propylcyclohexyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-ethylcyclohexane-1-carboxylate;methane is sourced from PubChem (CID 165067171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).