3-(3,3-dimethylbut-1-en-2-yl)oxolan-2-one;3,3-dimethyloxan-2-one;4,4-dimethyloxan-2-one;3,3-dimethyloxolan-2-one;4,4-dimethyloxolan-2-one;ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;4-(2-hydroxypropan-2-yl)oxolan-2-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;3,3,4,4-tetramethyloxan-2-one;4,4,5,5-tetramethyloxan-2-one;3,3,5,5-tetramethyloxolan-2-one;4,4,5,5-tetramethyloxolan-2-one;2-(2,3,4,4-tetramethyloxolan-2-yl)ethanol;3,3,5-trimethyloxolan-2-one;4,4,5-trimethyloxolan-2-one

C165H271NO46S — CID 161017337

IUPAC3-(3,3-dimethylbut-1-en-2-yl)oxolan-2-one;3,3-dimethyloxan-2-one;4,4-dimethyloxan-2-one;3,3-dimethyloxolan-2-one;4,4-dimethyloxolan-2-one;ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;4-(2-hydroxypropan-2-yl)oxolan-2-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;3,3,4,4-tetramethyloxan-2-one;4,4,5,5-tetramethyloxan-2-one;3,3,5,5-tetramethyloxolan-2-one;4,4,5,5-tetramethyloxolan-2-one;2-(2,3,4,4-tetramethyloxolan-2-yl)ethanol;3,3,5-trimethyloxolan-2-one;4,4,5-trimethyloxolan-2-one
SMILESC=C(C1CCOC1=O)C(C)(C)C.CC.CC(C)(O)C1COC(=O)C1.CC1(C)CC(=O)OC1(C)C.CC1(C)CC(C)(C)C(=O)O1.CC1(C)CCCOC1=O.CC1(C)CCOC(=O)C1.CC1(C)CCOC(=O)C1(C)C.CC1(C)CCOC1=O.CC1(C)COC(=O)C1.CC1(C)COC(=O)CC1(C)C.CC12CC3CC(C(=O)NS(C)(=O)=O)(CC(C1)C(=O)O3)C2.CC12CC3CC(O)(CC(C1)C(=O)O3)C2.CC1C(C)(C)COC1(C)CCO.CC1CC(C)(C)C(=O)O1.CC1OC(=O)CC1(C)C.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/C13H19NO5S.2C13H18O4.C12H18O3.C11H16O3.C10H20O2.C10H16O2.2C9H16O2.2C8H14O2.C7H12O3.4C7H12O2.2C6H10O2.C2H6/c1-12-3-8-4-13(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;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;1-8-9(2,3)7-12-10(8,4)5-6-11;1-7(10(2,3)4)8-5-6-12-9(8)11;1-8(2)5-7(10)11-6-9(8,3)4;1-8(2)5-6-11-7(10)9(8,3)4;1-7(2)5-8(3,4)10-6(7)9;1-7(2)5-6(9)10-8(7,3)4;1-7(2,9)5-3-6(8)10-4-5;1-5-7(2,3)4-6(8)9-5;1-5-4-7(2,3)6(8)9-5;1-7(2)3-4-9-6(8)5-7;1-7(2)4-3-5-9-6(7)8;1-6(2)3-5(7)8-4-6;1-6(2)3-4-8-5(6)7;1-2/h8-9H,3-7H2,1-2H3,(H,14,16);2*8-9H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;7-8,13H,2-6H2,1H3;8,11H,5-7H2,1-4H3;8H,1,5-6H2,2-4H3;2*5-6H2,1-4H3;2*5H2,1-4H3;5,9H,3-4H2,1-2H3;2*5H,4H2,1-3H3;2*3-5H2,1-2H3;2*3-4H2,1-2H3;1-2H3
InChIKeyTXWYXXBZTMPPOC-UHFFFAOYSA-N
MW3037.01 g/mol
LogP27.14
Rot. Bonds9

About 3-(3,3-dimethylbut-1-en-2-yl)oxolan-2-one;3,3-dimethyloxan-2-one;4,4-dimethyloxan-2-one;3,3-dimethyloxolan-2-one;4,4-dimethyloxolan-2-one;ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;4-(2-hydroxypropan-2-yl)oxolan-2-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;3,3,4,4-tetramethyloxan-2-one;4,4,5,5-tetramethyloxan-2-one;3,3,5,5-tetramethyloxolan-2-one;4,4,5,5-tetramethyloxolan-2-one;2-(2,3,4,4-tetramethyloxolan-2-yl)ethanol;3,3,5-trimethyloxolan-2-one;4,4,5-trimethyloxolan-2-one

3-(3,3-dimethylbut-1-en-2-yl)oxolan-2-one;3,3-dimethyloxan-2-one;4,4-dimethyloxan-2-one;3,3-dimethyloxolan-2-one;4,4-dimethyloxolan-2-one;ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;4-(2-hydroxypropan-2-yl)oxolan-2-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;3,3,4,4-tetramethyloxan-2-one;4,4,5,5-tetramethyloxan-2-one;3,3,5,5-tetramethyloxolan-2-one;4,4,5,5-tetramethyloxolan-2-one;2-(2,3,4,4-tetramethyloxolan-2-yl)ethanol;3,3,5-trimethyloxolan-2-one;4,4,5-trimethyloxolan-2-one (PubChem CID 161017337) has the molecular formula C165H271NO46S and a molecular weight of 3037.01 g/mol. Its IUPAC name is 3-(3,3-dimethylbut-1-en-2-yl)oxolan-2-one;3,3-dimethyloxan-2-one;4,4-dimethyloxan-2-one;3,3-dimethyloxolan-2-one;4,4-dimethyloxolan-2-one;ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;4-(2-hydroxypropan-2-yl)oxolan-2-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;3,3,4,4-tetramethyloxan-2-one;4,4,5,5-tetramethyloxan-2-one;3,3,5,5-tetramethyloxolan-2-one;4,4,5,5-tetramethyloxolan-2-one;2-(2,3,4,4-tetramethyloxolan-2-yl)ethanol;3,3,5-trimethyloxolan-2-one;4,4,5-trimethyloxolan-2-one.

Molecular Properties

Compound Name3-(3,3-dimethylbut-1-en-2-yl)oxolan-2-one;3,3-dimethyloxan-2-one;4,4-dimethyloxan-2-one;3,3-dimethyloxolan-2-one;4,4-dimethyloxolan-2-one;ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;4-(2-hydroxypropan-2-yl)oxolan-2-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;3,3,4,4-tetramethyloxan-2-one;4,4,5,5-tetramethyloxan-2-one;3,3,5,5-tetramethyloxolan-2-one;4,4,5,5-tetramethyloxolan-2-one;2-(2,3,4,4-tetramethyloxolan-2-yl)ethanol;3,3,5-trimethyloxolan-2-one;4,4,5-trimethyloxolan-2-one
PubChem CID161017337
Molecular FormulaC165H271NO46S
Molecular Weight3037.01 g/mol
Exact Mass3034.86
IUPAC Name3-(3,3-dimethylbut-1-en-2-yl)oxolan-2-one;3,3-dimethyloxan-2-one;4,4-dimethyloxan-2-one;3,3-dimethyloxolan-2-one;4,4-dimethyloxolan-2-one;ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;4-(2-hydroxypropan-2-yl)oxolan-2-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;3,3,4,4-tetramethyloxan-2-one;4,4,5,5-tetramethyloxan-2-one;3,3,5,5-tetramethyloxolan-2-one;4,4,5,5-tetramethyloxolan-2-one;2-(2,3,4,4-tetramethyloxolan-2-yl)ethanol;3,3,5-trimethyloxolan-2-one;4,4,5-trimethyloxolan-2-one
SMILESC=C(C1CCOC1=O)C(C)(C)C.CC.CC(C)(O)C1COC(=O)C1.CC1(C)CC(=O)OC1(C)C.CC1(C)CC(C)(C)C(=O)O1.CC1(C)CCCOC1=O.CC1(C)CCOC(=O)C1.CC1(C)CCOC(=O)C1(C)C.CC1(C)CCOC1=O.CC1(C)COC(=O)C1.CC1(C)COC(=O)CC1(C)C.CC12CC3CC(C(=O)NS(C)(=O)=O)(CC(C1)C(=O)O3)C2.CC12CC3CC(O)(CC(C1)C(=O)O3)C2.CC1C(C)(C)COC1(C)CCO.CC1CC(C)(C)C(=O)O1.CC1OC(=O)CC1(C)C.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/C13H19NO5S.2C13H18O4.C12H18O3.C11H16O3.C10H20O2.C10H16O2.2C9H16O2.2C8H14O2.C7H12O3.4C7H12O2.2C6H10O2.C2H6/c1-12-3-8-4-13(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;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;1-8-9(2,3)7-12-10(8,4)5-6-11;1-7(10(2,3)4)8-5-6-12-9(8)11;1-8(2)5-7(10)11-6-9(8,3)4;1-8(2)5-6-11-7(10)9(8,3)4;1-7(2)5-8(3,4)10-6(7)9;1-7(2)5-6(9)10-8(7,3)4;1-7(2,9)5-3-6(8)10-4-5;1-5-7(2,3)4-6(8)9-5;1-5-4-7(2,3)6(8)9-5;1-7(2)3-4-9-6(8)5-7;1-7(2)4-3-5-9-6(7)8;1-6(2)3-5(7)8-4-6;1-6(2)3-4-8-5(6)7;1-2/h8-9H,3-7H2,1-2H3,(H,14,16);2*8-9H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;7-8,13H,2-6H2,1H3;8,11H,5-7H2,1-4H3;8H,1,5-6H2,2-4H3;2*5-6H2,1-4H3;2*5H2,1-4H3;5,9H,3-4H2,1-2H3;2*5H,4H2,1-3H3;2*3-5H2,1-2H3;2*3-4H2,1-2H3;1-2H3
InChIKeyTXWYXXBZTMPPOC-UHFFFAOYSA-N
XLogP27.14
TPSA642.09 Ų
H-Bond Donors4
H-Bond Acceptors46
Rotatable Bonds9
Heavy Atoms213
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003037.01
LogP ≤ 527.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

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

Analyze 3-(3,3-dimethylbut-1-en-2-yl)oxolan-2-one;3,3-dimethyloxan-2-one;4,4-dimethyloxan-2-one;3,3-dimethyloxolan-2-one;4,4-dimethyloxolan-2-one;ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;4-(2-hydroxypropan-2-yl)oxolan-2-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;3,3,4,4-tetramethyloxan-2-one;4,4,5,5-tetramethyloxan-2-one;3,3,5,5-tetramethyloxolan-2-one;4,4,5,5-tetramethyloxolan-2-one;2-(2,3,4,4-tetramethyloxolan-2-yl)ethanol;3,3,5-trimethyloxolan-2-one;4,4,5-trimethyloxolan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbut-1-en-2-yl)oxolan-2-one;3,3-dimethyloxan-2-one;4,4-dimethyloxan-2-one;3,3-dimethyloxolan-2-one;4,4-dimethyloxolan-2-one;ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;4-(2-hydroxypropan-2-yl)oxolan-2-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;3,3,4,4-tetramethyloxan-2-one;4,4,5,5-tetramethyloxan-2-one;3,3,5,5-tetramethyloxolan-2-one;4,4,5,5-tetramethyloxolan-2-one;2-(2,3,4,4-tetramethyloxolan-2-yl)ethanol;3,3,5-trimethyloxolan-2-one;4,4,5-trimethyloxolan-2-one?
The IUPAC name of 3-(3,3-dimethylbut-1-en-2-yl)oxolan-2-one;3,3-dimethyloxan-2-one;4,4-dimethyloxan-2-one;3,3-dimethyloxolan-2-one;4,4-dimethyloxolan-2-one;ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;4-(2-hydroxypropan-2-yl)oxolan-2-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;3,3,4,4-tetramethyloxan-2-one;4,4,5,5-tetramethyloxan-2-one;3,3,5,5-tetramethyloxolan-2-one;4,4,5,5-tetramethyloxolan-2-one;2-(2,3,4,4-tetramethyloxolan-2-yl)ethanol;3,3,5-trimethyloxolan-2-one;4,4,5-trimethyloxolan-2-one (CID 161017337) is 3-(3,3-dimethylbut-1-en-2-yl)oxolan-2-one;3,3-dimethyloxan-2-one;4,4-dimethyloxan-2-one;3,3-dimethyloxolan-2-one;4,4-dimethyloxolan-2-one;ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;4-(2-hydroxypropan-2-yl)oxolan-2-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;3,3,4,4-tetramethyloxan-2-one;4,4,5,5-tetramethyloxan-2-one;3,3,5,5-tetramethyloxolan-2-one;4,4,5,5-tetramethyloxolan-2-one;2-(2,3,4,4-tetramethyloxolan-2-yl)ethanol;3,3,5-trimethyloxolan-2-one;4,4,5-trimethyloxolan-2-one.
What is the SMILES notation for 3-(3,3-dimethylbut-1-en-2-yl)oxolan-2-one;3,3-dimethyloxan-2-one;4,4-dimethyloxan-2-one;3,3-dimethyloxolan-2-one;4,4-dimethyloxolan-2-one;ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;4-(2-hydroxypropan-2-yl)oxolan-2-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;3,3,4,4-tetramethyloxan-2-one;4,4,5,5-tetramethyloxan-2-one;3,3,5,5-tetramethyloxolan-2-one;4,4,5,5-tetramethyloxolan-2-one;2-(2,3,4,4-tetramethyloxolan-2-yl)ethanol;3,3,5-trimethyloxolan-2-one;4,4,5-trimethyloxolan-2-one?
The canonical SMILES for 3-(3,3-dimethylbut-1-en-2-yl)oxolan-2-one;3,3-dimethyloxan-2-one;4,4-dimethyloxan-2-one;3,3-dimethyloxolan-2-one;4,4-dimethyloxolan-2-one;ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;4-(2-hydroxypropan-2-yl)oxolan-2-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;3,3,4,4-tetramethyloxan-2-one;4,4,5,5-tetramethyloxan-2-one;3,3,5,5-tetramethyloxolan-2-one;4,4,5,5-tetramethyloxolan-2-one;2-(2,3,4,4-tetramethyloxolan-2-yl)ethanol;3,3,5-trimethyloxolan-2-one;4,4,5-trimethyloxolan-2-one is C=C(C1CCOC1=O)C(C)(C)C.CC.CC(C)(O)C1COC(=O)C1.CC1(C)CC(=O)OC1(C)C.CC1(C)CC(C)(C)C(=O)O1.CC1(C)CCCOC1=O.CC1(C)CCOC(=O)C1.CC1(C)CCOC(=O)C1(C)C.CC1(C)CCOC1=O.CC1(C)COC(=O)C1.CC1(C)COC(=O)CC1(C)C.CC12CC3CC(C(=O)NS(C)(=O)=O)(CC(C1)C(=O)O3)C2.CC12CC3CC(O)(CC(C1)C(=O)O3)C2.CC1C(C)(C)COC1(C)CCO.CC1CC(C)(C)C(=O)O1.CC1OC(=O)CC1(C)C.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 3-(3,3-dimethylbut-1-en-2-yl)oxolan-2-one;3,3-dimethyloxan-2-one;4,4-dimethyloxan-2-one;3,3-dimethyloxolan-2-one;4,4-dimethyloxolan-2-one;ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;4-(2-hydroxypropan-2-yl)oxolan-2-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;3,3,4,4-tetramethyloxan-2-one;4,4,5,5-tetramethyloxan-2-one;3,3,5,5-tetramethyloxolan-2-one;4,4,5,5-tetramethyloxolan-2-one;2-(2,3,4,4-tetramethyloxolan-2-yl)ethanol;3,3,5-trimethyloxolan-2-one;4,4,5-trimethyloxolan-2-one?
The InChIKey is TXWYXXBZTMPPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S.2C13H18O4.C12H18O3.C11H16O3.C10H20O2.C10H16O2.2C9H16O2.2C8H14O2.C7H12O3.4C7H12O2.2C6H10O2.C2H6/c1-12-3-8-4-13(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;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;1-8-9(2,3)7-12-10(8,4)5-6-11;1-7(10(2,3)4)8-5-6-12-9(8)11;1-8(2)5-7(10)11-6-9(8,3)4;1-8(2)5-6-11-7(10)9(8,3)4;1-7(2)5-8(3,4)10-6(7)9;1-7(2)5-6(9)10-8(7,3)4;1-7(2,9)5-3-6(8)10-4-5;1-5-7(2,3)4-6(8)9-5;1-5-4-7(2,3)6(8)9-5;1-7(2)3-4-9-6(8)5-7;1-7(2)4-3-5-9-6(7)8;1-6(2)3-5(7)8-4-6;1-6(2)3-4-8-5(6)7;1-2/h8-9H,3-7H2,1-2H3,(H,14,16);2*8-9H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;7-8,13H,2-6H2,1H3;8,11H,5-7H2,1-4H3;8H,1,5-6H2,2-4H3;2*5-6H2,1-4H3;2*5H2,1-4H3;5,9H,3-4H2,1-2H3;2*5H,4H2,1-3H3;2*3-5H2,1-2H3;2*3-4H2,1-2H3;1-2H3.
What are the key properties of 3-(3,3-dimethylbut-1-en-2-yl)oxolan-2-one;3,3-dimethyloxan-2-one;4,4-dimethyloxan-2-one;3,3-dimethyloxolan-2-one;4,4-dimethyloxolan-2-one;ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;4-(2-hydroxypropan-2-yl)oxolan-2-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;3,3,4,4-tetramethyloxan-2-one;4,4,5,5-tetramethyloxan-2-one;3,3,5,5-tetramethyloxolan-2-one;4,4,5,5-tetramethyloxolan-2-one;2-(2,3,4,4-tetramethyloxolan-2-yl)ethanol;3,3,5-trimethyloxolan-2-one;4,4,5-trimethyloxolan-2-one?
3-(3,3-dimethylbut-1-en-2-yl)oxolan-2-one;3,3-dimethyloxan-2-one;4,4-dimethyloxan-2-one;3,3-dimethyloxolan-2-one;4,4-dimethyloxolan-2-one;ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;4-(2-hydroxypropan-2-yl)oxolan-2-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;3,3,4,4-tetramethyloxan-2-one;4,4,5,5-tetramethyloxan-2-one;3,3,5,5-tetramethyloxolan-2-one;4,4,5,5-tetramethyloxolan-2-one;2-(2,3,4,4-tetramethyloxolan-2-yl)ethanol;3,3,5-trimethyloxolan-2-one;4,4,5-trimethyloxolan-2-one has a molecular weight of 3037.01 g/mol, XLogP of 27.14, 9 rotatable bonds, 4 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbut-1-en-2-yl)oxolan-2-one;3,3-dimethyloxan-2-one;4,4-dimethyloxan-2-one;3,3-dimethyloxolan-2-one;4,4-dimethyloxolan-2-one;ethane;1-hydroxy-8-methyl-4-oxatricyclo[4.3.1.13,8]undecan-5-one;4-(2-hydroxypropan-2-yl)oxolan-2-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;3,3,4,4-tetramethyloxan-2-one;4,4,5,5-tetramethyloxan-2-one;3,3,5,5-tetramethyloxolan-2-one;4,4,5,5-tetramethyloxolan-2-one;2-(2,3,4,4-tetramethyloxolan-2-yl)ethanol;3,3,5-trimethyloxolan-2-one;4,4,5-trimethyloxolan-2-one is sourced from PubChem (CID 161017337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).