ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;1-methoxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(methyl 8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylate);8-methyl-N-methylsulfonyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxamide;1-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(6-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);(2-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2,2-dimethylpropanoate;8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylic acid;bis(1,3,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);bis(1,6,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one)

C186H275NO43S — CID 160626781

IUPACethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;1-methoxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(methyl 8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylate);8-methyl-N-methylsulfonyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxamide;1-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(6-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);(2-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2,2-dimethylpropanoate;8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylic acid;bis(1,3,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);bis(1,6,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one)
SMILESCC.CC(C)(C)C(=O)OC1(C)C2CC3CC2C(=O)OC31.CC12CC3CC(C(=O)NS(C)(=O)=O)(CC(C1)C(=O)O3)C2.CC12CC3CC(C(=O)O)(CC(C1)C(=O)O3)C2.CC12CC3CC(C)(C1)CC(C)(C2)C(=O)O3.CC12CC3CC(C)(C1)CC(C)(C2)C(=O)O3.CC12CC3CC(C)(C1)CC(C)(C2)OC3=O.CC12CC3CC(C)(C1)CC(C)(C2)OC3=O.CC12CC3CC(C1)OC(=O)C(C3)C2.CC12CC3CC(CC(C3)C(=O)O1)C2.CC12CC3CC(CC(C3)OC1=O)C2.CC12CC3CC(CC(C3)OC1=O)C2.CC12CC3CC(O)(CC(C1)C(=O)O3)C2.COC(=O)C12CC3CC(C)(CC(C1)C(=O)O3)C2.COC(=O)C12CC3CC(C)(CC(C1)C(=O)O3)C2.COC12CC3CC(C)(CC(C1)C(=O)O3)C2
InChIInChI=1S/C14H20O4.C13H19NO5S.2C13H18O4.4C13H20O2.C12H16O4.C12H18O3.C11H16O3.4C11H16O2.C2H6/c1-13(2,3)12(16)18-14(4)9-6-7-5-8(9)11(15)17-10(7)14;1-12-3-8-4-13(7-12,11(16)14-20(2,17)18)6-9(5-12)19-10(8)15;2*1-12-3-8-4-13(7-12,11(15)16-2)6-9(5-12)17-10(8)14;2*1-11-4-9-5-12(2,6-11)8-13(3,7-11)10(14)15-9;2*1-11-4-9-5-12(2,6-11)8-13(3,7-11)15-10(9)14;1-11-2-7-3-12(6-11,10(14)15)5-8(4-11)16-9(7)13;1-11-3-8-4-12(7-11,14-2)6-9(5-11)15-10(8)13;1-10-2-7-3-11(13,6-10)5-8(4-10)14-9(7)12;2*1-11-5-7-2-8(6-11)4-9(3-7)13-10(11)12;1-11-5-7-2-8(6-11)4-9(3-7)10(12)13-11;1-11-4-7-2-8(5-11)10(12)13-9(3-7)6-11;1-2/h7-10H,5-6H2,1-4H3;8-9H,3-7H2,1-2H3,(H,14,16);2*8-9H,3-7H2,1-2H3;4*9H,4-8H2,1-3H3;7-8H,2-6H2,1H3,(H,14,15);8-9H,3-7H2,1-2H3;7-8,13H,2-6H2,1H3;4*7-9H,2-6H2,1H3;1-2H3
InChIKeyRHKDQTRVQXHGIS-UHFFFAOYSA-N
MW3245.28 g/mol
LogP31.73
Rot. Bonds7

About ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;1-methoxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(methyl 8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylate);8-methyl-N-methylsulfonyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxamide;1-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(6-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);(2-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2,2-dimethylpropanoate;8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylic acid;bis(1,3,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);bis(1,6,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one)

ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;1-methoxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(methyl 8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylate);8-methyl-N-methylsulfonyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxamide;1-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(6-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);(2-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2,2-dimethylpropanoate;8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylic acid;bis(1,3,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);bis(1,6,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one) (PubChem CID 160626781) has the molecular formula C186H275NO43S and a molecular weight of 3245.28 g/mol. Its IUPAC name is ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;1-methoxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(methyl 8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylate);8-methyl-N-methylsulfonyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxamide;1-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(6-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);(2-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2,2-dimethylpropanoate;8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylic acid;bis(1,3,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);bis(1,6,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one).

Molecular Properties

Compound Nameethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;1-methoxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(methyl 8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylate);8-methyl-N-methylsulfonyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxamide;1-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(6-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);(2-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2,2-dimethylpropanoate;8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylic acid;bis(1,3,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);bis(1,6,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one)
PubChem CID160626781
Molecular FormulaC186H275NO43S
Molecular Weight3245.28 g/mol
Exact Mass3242.91
IUPAC Nameethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;1-methoxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(methyl 8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylate);8-methyl-N-methylsulfonyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxamide;1-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(6-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);(2-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2,2-dimethylpropanoate;8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylic acid;bis(1,3,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);bis(1,6,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one)
SMILESCC.CC(C)(C)C(=O)OC1(C)C2CC3CC2C(=O)OC31.CC12CC3CC(C(=O)NS(C)(=O)=O)(CC(C1)C(=O)O3)C2.CC12CC3CC(C(=O)O)(CC(C1)C(=O)O3)C2.CC12CC3CC(C)(C1)CC(C)(C2)C(=O)O3.CC12CC3CC(C)(C1)CC(C)(C2)C(=O)O3.CC12CC3CC(C)(C1)CC(C)(C2)OC3=O.CC12CC3CC(C)(C1)CC(C)(C2)OC3=O.CC12CC3CC(C1)OC(=O)C(C3)C2.CC12CC3CC(CC(C3)C(=O)O1)C2.CC12CC3CC(CC(C3)OC1=O)C2.CC12CC3CC(CC(C3)OC1=O)C2.CC12CC3CC(O)(CC(C1)C(=O)O3)C2.COC(=O)C12CC3CC(C)(CC(C1)C(=O)O3)C2.COC(=O)C12CC3CC(C)(CC(C1)C(=O)O3)C2.COC12CC3CC(C)(CC(C1)C(=O)O3)C2
InChIInChI=1S/C14H20O4.C13H19NO5S.2C13H18O4.4C13H20O2.C12H16O4.C12H18O3.C11H16O3.4C11H16O2.C2H6/c1-13(2,3)12(16)18-14(4)9-6-7-5-8(9)11(15)17-10(7)14;1-12-3-8-4-13(7-12,11(16)14-20(2,17)18)6-9(5-12)19-10(8)15;2*1-12-3-8-4-13(7-12,11(15)16-2)6-9(5-12)17-10(8)14;2*1-11-4-9-5-12(2,6-11)8-13(3,7-11)10(14)15-9;2*1-11-4-9-5-12(2,6-11)8-13(3,7-11)15-10(9)14;1-11-2-7-3-12(6-11,10(14)15)5-8(4-11)16-9(7)13;1-11-3-8-4-12(7-11,14-2)6-9(5-11)15-10(8)13;1-10-2-7-3-11(13,6-10)5-8(4-10)14-9(7)12;2*1-11-5-7-2-8(6-11)4-9(3-7)13-10(11)12;1-11-5-7-2-8(6-11)4-9(3-7)10(12)13-11;1-11-4-7-2-8(5-11)10(12)13-9(3-7)6-11;1-2/h7-10H,5-6H2,1-4H3;8-9H,3-7H2,1-2H3,(H,14,16);2*8-9H,3-7H2,1-2H3;4*9H,4-8H2,1-3H3;7-8H,2-6H2,1H3,(H,14,15);8-9H,3-7H2,1-2H3;7-8,13H,2-6H2,1H3;4*7-9H,2-6H2,1H3;1-2H3
InChIKeyRHKDQTRVQXHGIS-UHFFFAOYSA-N
XLogP31.73
TPSA603.40 Ų
H-Bond Donors3
H-Bond Acceptors42
Rotatable Bonds7
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003245.28
LogP ≤ 531.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;1-methoxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(methyl 8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylate);8-methyl-N-methylsulfonyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxamide;1-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(6-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);(2-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2,2-dimethylpropanoate;8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylic acid;bis(1,3,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);bis(1,6,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;1-methoxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(methyl 8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylate);8-methyl-N-methylsulfonyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxamide;1-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(6-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);(2-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2,2-dimethylpropanoate;8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylic acid;bis(1,3,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);bis(1,6,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one)?
The IUPAC name of ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;1-methoxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(methyl 8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylate);8-methyl-N-methylsulfonyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxamide;1-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(6-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);(2-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2,2-dimethylpropanoate;8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylic acid;bis(1,3,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);bis(1,6,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one) (CID 160626781) is ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;1-methoxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(methyl 8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylate);8-methyl-N-methylsulfonyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxamide;1-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(6-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);(2-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2,2-dimethylpropanoate;8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylic acid;bis(1,3,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);bis(1,6,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one).
What is the SMILES notation for ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;1-methoxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(methyl 8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylate);8-methyl-N-methylsulfonyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxamide;1-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(6-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);(2-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2,2-dimethylpropanoate;8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylic acid;bis(1,3,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);bis(1,6,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one)?
The canonical SMILES for ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;1-methoxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(methyl 8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylate);8-methyl-N-methylsulfonyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxamide;1-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(6-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);(2-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2,2-dimethylpropanoate;8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylic acid;bis(1,3,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);bis(1,6,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one) is CC.CC(C)(C)C(=O)OC1(C)C2CC3CC2C(=O)OC31.CC12CC3CC(C(=O)NS(C)(=O)=O)(CC(C1)C(=O)O3)C2.CC12CC3CC(C(=O)O)(CC(C1)C(=O)O3)C2.CC12CC3CC(C)(C1)CC(C)(C2)C(=O)O3.CC12CC3CC(C)(C1)CC(C)(C2)C(=O)O3.CC12CC3CC(C)(C1)CC(C)(C2)OC3=O.CC12CC3CC(C)(C1)CC(C)(C2)OC3=O.CC12CC3CC(C1)OC(=O)C(C3)C2.CC12CC3CC(CC(C3)C(=O)O1)C2.CC12CC3CC(CC(C3)OC1=O)C2.CC12CC3CC(CC(C3)OC1=O)C2.CC12CC3CC(O)(CC(C1)C(=O)O3)C2.COC(=O)C12CC3CC(C)(CC(C1)C(=O)O3)C2.COC(=O)C12CC3CC(C)(CC(C1)C(=O)O3)C2.COC12CC3CC(C)(CC(C1)C(=O)O3)C2.
What is the InChIKey of ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;1-methoxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(methyl 8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylate);8-methyl-N-methylsulfonyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxamide;1-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(6-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);(2-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2,2-dimethylpropanoate;8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylic acid;bis(1,3,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);bis(1,6,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one)?
The InChIKey is RHKDQTRVQXHGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4.C13H19NO5S.2C13H18O4.4C13H20O2.C12H16O4.C12H18O3.C11H16O3.4C11H16O2.C2H6/c1-13(2,3)12(16)18-14(4)9-6-7-5-8(9)11(15)17-10(7)14;1-12-3-8-4-13(7-12,11(16)14-20(2,17)18)6-9(5-12)19-10(8)15;2*1-12-3-8-4-13(7-12,11(15)16-2)6-9(5-12)17-10(8)14;2*1-11-4-9-5-12(2,6-11)8-13(3,7-11)10(14)15-9;2*1-11-4-9-5-12(2,6-11)8-13(3,7-11)15-10(9)14;1-11-2-7-3-12(6-11,10(14)15)5-8(4-11)16-9(7)13;1-11-3-8-4-12(7-11,14-2)6-9(5-11)15-10(8)13;1-10-2-7-3-11(13,6-10)5-8(4-10)14-9(7)12;2*1-11-5-7-2-8(6-11)4-9(3-7)13-10(11)12;1-11-5-7-2-8(6-11)4-9(3-7)10(12)13-11;1-11-4-7-2-8(5-11)10(12)13-9(3-7)6-11;1-2/h7-10H,5-6H2,1-4H3;8-9H,3-7H2,1-2H3,(H,14,16);2*8-9H,3-7H2,1-2H3;4*9H,4-8H2,1-3H3;7-8H,2-6H2,1H3,(H,14,15);8-9H,3-7H2,1-2H3;7-8,13H,2-6H2,1H3;4*7-9H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;1-methoxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(methyl 8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylate);8-methyl-N-methylsulfonyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxamide;1-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(6-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);(2-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2,2-dimethylpropanoate;8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylic acid;bis(1,3,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);bis(1,6,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one)?
ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;1-methoxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(methyl 8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylate);8-methyl-N-methylsulfonyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxamide;1-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(6-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);(2-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2,2-dimethylpropanoate;8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylic acid;bis(1,3,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);bis(1,6,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one) has a molecular weight of 3245.28 g/mol, XLogP of 31.73, 7 rotatable bonds, 3 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;1-methoxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(methyl 8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylate);8-methyl-N-methylsulfonyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxamide;1-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;bis(6-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);(2-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2,2-dimethylpropanoate;8-methyl-5-oxo-4-oxatricyclo[4.3.1.13,8]undecane-1-carboxylic acid;bis(1,3,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one);bis(1,6,8-trimethyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one) is sourced from PubChem (CID 160626781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).