2,3-dihydrofuran;3,4-dihydro-2H-pyran;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]

C158H220N2O44S3 — CID 160778007

IUPAC2,3-dihydrofuran;3,4-dihydro-2H-pyran;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]
SMILESC1=CC2CC1CC21CCOC1.C1=COCC1.C1=COCCC1.C=C(C)C#N.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3S2.C=C(C)C(=O)OC1C2CC3C(O2)C1OS3(=O)=O.C=C(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3C2.C=CC#N.C=COC.C=COC(C)C.C=COC12CC3CC(CC(O)(C3)C1)C2.C=COC1C2CC3C(=O)OC1C3C2.C=COC1C2CC3C(=O)OC1C3O2.C=COC1CC2CC1C1COC(=O)C21.C=COC1CC2CC1CC21COC(=O)C1.C=COC1CC2CCC1C2.C=COC1CCCCC1.C=COCC.C=COCCCC
InChIInChI=1S/C12H16O3.C12H18O2.C11H14O5S.C11H12O5.C11H12O4S.C11H14O3.C10H12O6S.C10H12O3.C10H14O.C9H10O4.C9H14O.C8H14O.C6H12O.C5H8O.C5H10O.C4H5N.C4H6O.C4H8O.C3H3N.C3H6O/c1-2-14-10-4-9-3-8(10)5-12(9)6-11(13)15-7-12;1-2-14-12-6-9-3-10(7-12)5-11(13,4-9)8-12;1-5(2)11(12)15-9-6-3-7-8(4-6)17(13,14)16-10(7)9;1-4(2)10(12)15-8-6-3-5-7(14-6)9(8)16-11(5)13;1-4(2)10(12)14-7-6-3-5-9(16-6)8(7)15-11(5)13;1-2-13-9-4-6-3-7(9)8-5-14-11(12)10(6)8;1-4(2)10(11)15-7-5-3-6-8(14-5)9(7)16-17(6,12)13;1-2-12-8-5-3-6-7(4-5)10(11)13-9(6)8;1-2-9-5-8(1)6-10(9)3-4-11-7-10;1-2-11-7-5-3-4-6(12-5)8(7)13-9(4)10;1-2-10-9-6-7-3-4-8(9)5-7;1-2-9-8-6-4-3-5-7-8;1-3-5-6-7-4-2;1-2-4-6-5-3-1;1-4-6-5(2)3;1-4(2)3-5;1-2-4-5-3-1;1-3-5-4-2;1-2-3-4;1-3-4-2/h2,8-10H,1,3-7H2;2,9-10,13H,1,3-8H2;6-10H,1,3-4H2,2H3;2*5-9H,1,3H2,2H3;2,6-10H,1,3-5H2;5-9H,1,3H2,2H3;2,5-9H,1,3-4H2;1-2,8-9H,3-7H2;2,4-8H,1,3H2;2,7-9H,1,3-6H2;2,8H,1,3-7H2;4H,2-3,5-6H2,1H3;2,4H,1,3,5H2;4-5H,1H2,2-3H3;1H2,2H3;1,3H,2,4H2;3H,1,4H2,2H3;2H,1H2;3H,1H2,2H3
InChIKeySAEYZIAELMDVRI-UHFFFAOYSA-N
MW2947.67 g/mol
LogP24.48
Rot. Bonds31

About 2,3-dihydrofuran;3,4-dihydro-2H-pyran;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]

2,3-dihydrofuran;3,4-dihydro-2H-pyran;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane] (PubChem CID 160778007) has the molecular formula C158H220N2O44S3 and a molecular weight of 2947.67 g/mol. Its IUPAC name is 2,3-dihydrofuran;3,4-dihydro-2H-pyran;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane].

Molecular Properties

Compound Name2,3-dihydrofuran;3,4-dihydro-2H-pyran;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]
PubChem CID160778007
Molecular FormulaC158H220N2O44S3
Molecular Weight2947.67 g/mol
Exact Mass2945.42
IUPAC Name2,3-dihydrofuran;3,4-dihydro-2H-pyran;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]
SMILESC1=CC2CC1CC21CCOC1.C1=COCC1.C1=COCCC1.C=C(C)C#N.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3S2.C=C(C)C(=O)OC1C2CC3C(O2)C1OS3(=O)=O.C=C(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3C2.C=CC#N.C=COC.C=COC(C)C.C=COC12CC3CC(CC(O)(C3)C1)C2.C=COC1C2CC3C(=O)OC1C3C2.C=COC1C2CC3C(=O)OC1C3O2.C=COC1CC2CC1C1COC(=O)C21.C=COC1CC2CC1CC21COC(=O)C1.C=COC1CC2CCC1C2.C=COC1CCCCC1.C=COCC.C=COCCCC
InChIInChI=1S/C12H16O3.C12H18O2.C11H14O5S.C11H12O5.C11H12O4S.C11H14O3.C10H12O6S.C10H12O3.C10H14O.C9H10O4.C9H14O.C8H14O.C6H12O.C5H8O.C5H10O.C4H5N.C4H6O.C4H8O.C3H3N.C3H6O/c1-2-14-10-4-9-3-8(10)5-12(9)6-11(13)15-7-12;1-2-14-12-6-9-3-10(7-12)5-11(13,4-9)8-12;1-5(2)11(12)15-9-6-3-7-8(4-6)17(13,14)16-10(7)9;1-4(2)10(12)15-8-6-3-5-7(14-6)9(8)16-11(5)13;1-4(2)10(12)14-7-6-3-5-9(16-6)8(7)15-11(5)13;1-2-13-9-4-6-3-7(9)8-5-14-11(12)10(6)8;1-4(2)10(11)15-7-5-3-6-8(14-5)9(7)16-17(6,12)13;1-2-12-8-5-3-6-7(4-5)10(11)13-9(6)8;1-2-9-5-8(1)6-10(9)3-4-11-7-10;1-2-11-7-5-3-4-6(12-5)8(7)13-9(4)10;1-2-10-9-6-7-3-4-8(9)5-7;1-2-9-8-6-4-3-5-7-8;1-3-5-6-7-4-2;1-2-4-6-5-3-1;1-4-6-5(2)3;1-4(2)3-5;1-2-4-5-3-1;1-3-5-4-2;1-2-3-4;1-3-4-2/h2,8-10H,1,3-7H2;2,9-10,13H,1,3-8H2;6-10H,1,3-4H2,2H3;2*5-9H,1,3H2,2H3;2,6-10H,1,3-5H2;5-9H,1,3H2,2H3;2,5-9H,1,3-4H2;1-2,8-9H,3-7H2;2,4-8H,1,3H2;2,7-9H,1,3-6H2;2,8H,1,3-7H2;4H,2-3,5-6H2,1H3;2,4H,1,3,5H2;4-5H,1H2,2-3H3;1H2,2H3;1,3H,2,4H2;3H,1,4H2,2H3;2H,1H2;3H,1H2,2H3
InChIKeySAEYZIAELMDVRI-UHFFFAOYSA-N
XLogP24.48
TPSA574.46 Ų
H-Bond Donors1
H-Bond Acceptors47
Rotatable Bonds31
Heavy Atoms207
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002947.67
LogP ≤ 524.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,3-dihydrofuran;3,4-dihydro-2H-pyran;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane] 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

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran;3,4-dihydro-2H-pyran;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]?
The IUPAC name of 2,3-dihydrofuran;3,4-dihydro-2H-pyran;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane] (CID 160778007) is 2,3-dihydrofuran;3,4-dihydro-2H-pyran;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane].
What is the SMILES notation for 2,3-dihydrofuran;3,4-dihydro-2H-pyran;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]?
The canonical SMILES for 2,3-dihydrofuran;3,4-dihydro-2H-pyran;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane] is C1=CC2CC1CC21CCOC1.C1=COCC1.C1=COCCC1.C=C(C)C#N.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3S2.C=C(C)C(=O)OC1C2CC3C(O2)C1OS3(=O)=O.C=C(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3C2.C=CC#N.C=COC.C=COC(C)C.C=COC12CC3CC(CC(O)(C3)C1)C2.C=COC1C2CC3C(=O)OC1C3C2.C=COC1C2CC3C(=O)OC1C3O2.C=COC1CC2CC1C1COC(=O)C21.C=COC1CC2CC1CC21COC(=O)C1.C=COC1CC2CCC1C2.C=COC1CCCCC1.C=COCC.C=COCCCC.
What is the InChIKey of 2,3-dihydrofuran;3,4-dihydro-2H-pyran;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]?
The InChIKey is SAEYZIAELMDVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3.C12H18O2.C11H14O5S.C11H12O5.C11H12O4S.C11H14O3.C10H12O6S.C10H12O3.C10H14O.C9H10O4.C9H14O.C8H14O.C6H12O.C5H8O.C5H10O.C4H5N.C4H6O.C4H8O.C3H3N.C3H6O/c1-2-14-10-4-9-3-8(10)5-12(9)6-11(13)15-7-12;1-2-14-12-6-9-3-10(7-12)5-11(13,4-9)8-12;1-5(2)11(12)15-9-6-3-7-8(4-6)17(13,14)16-10(7)9;1-4(2)10(12)15-8-6-3-5-7(14-6)9(8)16-11(5)13;1-4(2)10(12)14-7-6-3-5-9(16-6)8(7)15-11(5)13;1-2-13-9-4-6-3-7(9)8-5-14-11(12)10(6)8;1-4(2)10(11)15-7-5-3-6-8(14-5)9(7)16-17(6,12)13;1-2-12-8-5-3-6-7(4-5)10(11)13-9(6)8;1-2-9-5-8(1)6-10(9)3-4-11-7-10;1-2-11-7-5-3-4-6(12-5)8(7)13-9(4)10;1-2-10-9-6-7-3-4-8(9)5-7;1-2-9-8-6-4-3-5-7-8;1-3-5-6-7-4-2;1-2-4-6-5-3-1;1-4-6-5(2)3;1-4(2)3-5;1-2-4-5-3-1;1-3-5-4-2;1-2-3-4;1-3-4-2/h2,8-10H,1,3-7H2;2,9-10,13H,1,3-8H2;6-10H,1,3-4H2,2H3;2*5-9H,1,3H2,2H3;2,6-10H,1,3-5H2;5-9H,1,3H2,2H3;2,5-9H,1,3-4H2;1-2,8-9H,3-7H2;2,4-8H,1,3H2;2,7-9H,1,3-6H2;2,8H,1,3-7H2;4H,2-3,5-6H2,1H3;2,4H,1,3,5H2;4-5H,1H2,2-3H3;1H2,2H3;1,3H,2,4H2;3H,1,4H2,2H3;2H,1H2;3H,1H2,2H3.
What are the key properties of 2,3-dihydrofuran;3,4-dihydro-2H-pyran;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]?
2,3-dihydrofuran;3,4-dihydro-2H-pyran;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane] has a molecular weight of 2947.67 g/mol, XLogP of 24.48, 31 rotatable bonds, 1 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran;3,4-dihydro-2H-pyran;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;3-ethenoxyadamantan-1-ol;2-ethenoxybicyclo[2.2.1]heptane;1-ethenoxybutane;ethenoxycyclohexane;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;2-methylprop-2-enenitrile;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;prop-2-enenitrile;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane] is sourced from PubChem (CID 160778007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).