(1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate;(3,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(6,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(8-formyloxy-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate

C176H312O38 — CID 159628552

IUPAC(1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate;(3,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(6,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(8-formyloxy-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC12CC3(C)CC(CC(C)(C3)C1)C(=O)O2.CCC(C)(C)C(=O)OC12CC3(C)CC(CC(C)(C3)C1)OC2=O.CCC(C)(C)C(=O)OC12CC3CC(C)(C1)CC(C)(C2)C(=O)O3.CCC(C)(C)C(=O)OC12CC3CC(C)(CC(C)(C1)OC3=O)C2.CCC(C)(C)C(=O)OC12CC3CC(C1)OC(=O)C(C3)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(C3)C(=O)O1)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(C3)OC1=O)C2.CCC(C)(C)C(=O)OC12CC3CC(OC=O)(CC(C1)C(=O)O3)C2.O=C1OCC2C3CC(C12)C1C2CCC(C2)C31
InChIInChI=1S/4C18H28O4.C17H24O6.3C16H24O4.C14H18O2.C7H14O2.18CH4/c1-6-15(2,3)13(19)22-18-8-12-7-16(4,10-18)9-17(5,11-18)14(20)21-12;1-6-15(2,3)13(19)22-18-10-16(4)7-12(21-14(18)20)8-17(5,9-16)11-18;1-6-15(2,3)14(20)22-18-8-12-7-16(4,10-18)9-17(5,11-18)21-13(12)19;1-6-15(2,3)14(20)22-18-10-16(4)7-12(13(19)21-18)8-17(5,9-16)11-18;1-4-15(2,3)14(20)23-17-6-11-5-16(9-17,21-10-18)7-12(8-17)22-13(11)19;1-4-15(2,3)13(17)20-16-8-10-5-11(9-16)7-12(6-10)19-14(16)18;1-4-15(2,3)14(18)20-16-8-10-5-11(9-16)7-12(6-10)13(17)19-16;1-4-15(2,3)14(18)20-16-7-10-5-11(8-16)13(17)19-12(6-10)9-16;15-14-13-9-4-8(10(13)5-16-14)11-6-1-2-7(3-6)12(9)11;1-5-7(2,3)6(8)9-4;;;;;;;;;;;;;;;;;;/h4*12H,6-11H2,1-5H3;10-12H,4-9H2,1-3H3;3*10-12H,4-9H2,1-3H3;6-13H,1-5H2;5H2,1-4H3;18*1H4
InChIKeyMOUXLLGTAHVTCZ-UHFFFAOYSA-N
MW3036.39 g/mol
LogP40.68
Rot. Bonds28

About (1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate;(3,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(6,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(8-formyloxy-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate

(1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate;(3,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(6,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(8-formyloxy-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate (PubChem CID 159628552) has the molecular formula C176H312O38 and a molecular weight of 3036.39 g/mol. Its IUPAC name is (1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate;(3,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(6,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(8-formyloxy-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate.

Molecular Properties

Compound Name(1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate;(3,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(6,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(8-formyloxy-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate
PubChem CID159628552
Molecular FormulaC176H312O38
Molecular Weight3036.39 g/mol
Exact Mass3034.25
IUPAC Name(1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate;(3,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(6,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(8-formyloxy-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC12CC3(C)CC(CC(C)(C3)C1)C(=O)O2.CCC(C)(C)C(=O)OC12CC3(C)CC(CC(C)(C3)C1)OC2=O.CCC(C)(C)C(=O)OC12CC3CC(C)(C1)CC(C)(C2)C(=O)O3.CCC(C)(C)C(=O)OC12CC3CC(C)(CC(C)(C1)OC3=O)C2.CCC(C)(C)C(=O)OC12CC3CC(C1)OC(=O)C(C3)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(C3)C(=O)O1)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(C3)OC1=O)C2.CCC(C)(C)C(=O)OC12CC3CC(OC=O)(CC(C1)C(=O)O3)C2.O=C1OCC2C3CC(C12)C1C2CCC(C2)C31
InChIInChI=1S/4C18H28O4.C17H24O6.3C16H24O4.C14H18O2.C7H14O2.18CH4/c1-6-15(2,3)13(19)22-18-8-12-7-16(4,10-18)9-17(5,11-18)14(20)21-12;1-6-15(2,3)13(19)22-18-10-16(4)7-12(21-14(18)20)8-17(5,9-16)11-18;1-6-15(2,3)14(20)22-18-8-12-7-16(4,10-18)9-17(5,11-18)21-13(12)19;1-6-15(2,3)14(20)22-18-10-16(4)7-12(13(19)21-18)8-17(5,9-16)11-18;1-4-15(2,3)14(20)23-17-6-11-5-16(9-17,21-10-18)7-12(8-17)22-13(11)19;1-4-15(2,3)13(17)20-16-8-10-5-11(9-16)7-12(6-10)19-14(16)18;1-4-15(2,3)14(18)20-16-8-10-5-11(9-16)7-12(6-10)13(17)19-16;1-4-15(2,3)14(18)20-16-7-10-5-11(8-16)13(17)19-12(6-10)9-16;15-14-13-9-4-8(10(13)5-16-14)11-6-1-2-7(3-6)12(9)11;1-5-7(2,3)6(8)9-4;;;;;;;;;;;;;;;;;;/h4*12H,6-11H2,1-5H3;10-12H,4-9H2,1-3H3;3*10-12H,4-9H2,1-3H3;6-13H,1-5H2;5H2,1-4H3;18*1H4
InChIKeyMOUXLLGTAHVTCZ-UHFFFAOYSA-N
XLogP40.68
TPSA499.70 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds28
Heavy Atoms214
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003036.39
LogP ≤ 540.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

Analyze (1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate;(3,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(6,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(8-formyloxy-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate;(3,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(6,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(8-formyloxy-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate?
The IUPAC name of (1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate;(3,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(6,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(8-formyloxy-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate (CID 159628552) is (1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate;(3,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(6,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(8-formyloxy-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate.
What is the SMILES notation for (1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate;(3,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(6,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(8-formyloxy-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate?
The canonical SMILES for (1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate;(3,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(6,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(8-formyloxy-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC12CC3(C)CC(CC(C)(C3)C1)C(=O)O2.CCC(C)(C)C(=O)OC12CC3(C)CC(CC(C)(C3)C1)OC2=O.CCC(C)(C)C(=O)OC12CC3CC(C)(C1)CC(C)(C2)C(=O)O3.CCC(C)(C)C(=O)OC12CC3CC(C)(CC(C)(C1)OC3=O)C2.CCC(C)(C)C(=O)OC12CC3CC(C1)OC(=O)C(C3)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(C3)C(=O)O1)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(C3)OC1=O)C2.CCC(C)(C)C(=O)OC12CC3CC(OC=O)(CC(C1)C(=O)O3)C2.O=C1OCC2C3CC(C12)C1C2CCC(C2)C31.
What is the InChIKey of (1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate;(3,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(6,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(8-formyloxy-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate?
The InChIKey is MOUXLLGTAHVTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H28O4.C17H24O6.3C16H24O4.C14H18O2.C7H14O2.18CH4/c1-6-15(2,3)13(19)22-18-8-12-7-16(4,10-18)9-17(5,11-18)14(20)21-12;1-6-15(2,3)13(19)22-18-10-16(4)7-12(21-14(18)20)8-17(5,9-16)11-18;1-6-15(2,3)14(20)22-18-8-12-7-16(4,10-18)9-17(5,11-18)21-13(12)19;1-6-15(2,3)14(20)22-18-10-16(4)7-12(13(19)21-18)8-17(5,9-16)11-18;1-4-15(2,3)14(20)23-17-6-11-5-16(9-17,21-10-18)7-12(8-17)22-13(11)19;1-4-15(2,3)13(17)20-16-8-10-5-11(9-16)7-12(6-10)19-14(16)18;1-4-15(2,3)14(18)20-16-8-10-5-11(9-16)7-12(6-10)13(17)19-16;1-4-15(2,3)14(18)20-16-7-10-5-11(8-16)13(17)19-12(6-10)9-16;15-14-13-9-4-8(10(13)5-16-14)11-6-1-2-7(3-6)12(9)11;1-5-7(2,3)6(8)9-4;;;;;;;;;;;;;;;;;;/h4*12H,6-11H2,1-5H3;10-12H,4-9H2,1-3H3;3*10-12H,4-9H2,1-3H3;6-13H,1-5H2;5H2,1-4H3;18*1H4.
What are the key properties of (1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate;(3,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(6,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(8-formyloxy-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate?
(1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate;(3,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(6,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(8-formyloxy-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate has a molecular weight of 3036.39 g/mol, XLogP of 40.68, 28 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(1,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate;(3,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(6,8-dimethyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(8-formyloxy-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-3-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-6-yl) 2,2-dimethylbutanoate is sourced from PubChem (CID 159628552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).