2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;2,5-dihydrofuran;3,4-dihydro-2H-pyran;1-ethenoxybutane;ethenoxyethane;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol

C152H199F15O31 — CID 157082981

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;2,5-dihydrofuran;3,4-dihydro-2H-pyran;1-ethenoxybutane;ethenoxyethane;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol
SMILESC1=CC2CC1CC21CCOC1.C1=CC2CC1CC21COCO1.C1=CCOC1.C1=COCCC1.C=COC.C=COC(C)C.C=COC1C2CC3C(=O)OC1C3C2.C=COCC.C=COCCCC.O=C(OC1C2CC3C(=O)OC1C3C2)C1CC2C=CC1C2.O=C(OC1C2CC3C(=O)OC1C3O2)C1CC2C=CC1C2.O=C1CC(C2CC3C=CC2C3)CO1.O=C1CC(CC2CC3C=CC2C3)CO1.O=C1CCCC1OC(=O)C1CC2C=CC1C2.OC(C1CC2C=CC1C2)(C(F)(F)F)C(F)(F)F.OC(CC1CC2C=CC1C2)(C(F)(F)F)C(F)(F)F.OC1(C(F)(F)F)CC2C=CC1C2
InChIInChI=1S/C16H18O4.C15H16O5.C13H16O3.C12H16O2.C11H12F6O.C11H14O2.C10H10F6O.C10H12O3.C10H14O.C9H12O2.C8H9F3O.C6H12O.C5H8O.C5H10O.C4H6O.C4H8O.C3H6O/c17-15(10-4-7-1-2-8(10)3-7)19-13-9-5-11-12(6-9)16(18)20-14(11)13;16-14(8-4-6-1-2-7(8)3-6)19-12-10-5-9-11(18-10)13(12)20-15(9)17;14-11-2-1-3-12(11)16-13(15)10-7-8-4-5-9(10)6-8;13-12-6-9(7-14-12)5-11-4-8-1-2-10(11)3-8;12-10(13,14)9(18,11(15,16)17)5-8-4-6-1-2-7(8)3-6;12-11-5-9(6-13-11)10-4-7-1-2-8(10)3-7;11-9(12,13)8(17,10(14,15)16)7-4-5-1-2-6(7)3-5;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;1-2-8-3-7(1)4-9(8)5-10-6-11-9;9-8(10,11)7(12)4-5-1-2-6(7)3-5;1-3-5-6-7-4-2;1-2-4-6-5-3-1;1-4-6-5(2)3;1-2-4-5-3-1;1-3-5-4-2;1-3-4-2/h1-2,7-14H,3-6H2;1-2,6-13H,3-5H2;4-5,8-10,12H,1-3,6-7H2;1-2,8-11H,3-7H2;1-2,6-8,18H,3-5H2;1-2,7-10H,3-6H2;1-2,5-7,17H,3-4H2;2,5-9H,1,3-4H2;1-2,8-9H,3-7H2;1-2,7-8H,3-6H2;1-2,5-6,12H,3-4H2;4H,2-3,5-6H2,1H3;2,4H,1,3,5H2;4-5H,1H2,2-3H3;1-2H,3-4H2;3H,1,4H2,2H3;3H,1H2,2H3
InChIKeyADTNIIBFZTYOJV-UHFFFAOYSA-N
MW2807.20 g/mol
LogP28.40
Rot. Bonds23

About 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;2,5-dihydrofuran;3,4-dihydro-2H-pyran;1-ethenoxybutane;ethenoxyethane;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol

2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;2,5-dihydrofuran;3,4-dihydro-2H-pyran;1-ethenoxybutane;ethenoxyethane;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol (PubChem CID 157082981) has the molecular formula C152H199F15O31 and a molecular weight of 2807.20 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;2,5-dihydrofuran;3,4-dihydro-2H-pyran;1-ethenoxybutane;ethenoxyethane;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;2,5-dihydrofuran;3,4-dihydro-2H-pyran;1-ethenoxybutane;ethenoxyethane;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol
PubChem CID157082981
Molecular FormulaC152H199F15O31
Molecular Weight2807.20 g/mol
Exact Mass2805.38
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;2,5-dihydrofuran;3,4-dihydro-2H-pyran;1-ethenoxybutane;ethenoxyethane;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol
SMILESC1=CC2CC1CC21CCOC1.C1=CC2CC1CC21COCO1.C1=CCOC1.C1=COCCC1.C=COC.C=COC(C)C.C=COC1C2CC3C(=O)OC1C3C2.C=COCC.C=COCCCC.O=C(OC1C2CC3C(=O)OC1C3C2)C1CC2C=CC1C2.O=C(OC1C2CC3C(=O)OC1C3O2)C1CC2C=CC1C2.O=C1CC(C2CC3C=CC2C3)CO1.O=C1CC(CC2CC3C=CC2C3)CO1.O=C1CCCC1OC(=O)C1CC2C=CC1C2.OC(C1CC2C=CC1C2)(C(F)(F)F)C(F)(F)F.OC(CC1CC2C=CC1C2)(C(F)(F)F)C(F)(F)F.OC1(C(F)(F)F)CC2C=CC1C2
InChIInChI=1S/C16H18O4.C15H16O5.C13H16O3.C12H16O2.C11H12F6O.C11H14O2.C10H10F6O.C10H12O3.C10H14O.C9H12O2.C8H9F3O.C6H12O.C5H8O.C5H10O.C4H6O.C4H8O.C3H6O/c17-15(10-4-7-1-2-8(10)3-7)19-13-9-5-11-12(6-9)16(18)20-14(11)13;16-14(8-4-6-1-2-7(8)3-6)19-12-10-5-9-11(18-10)13(12)20-15(9)17;14-11-2-1-3-12(11)16-13(15)10-7-8-4-5-9(10)6-8;13-12-6-9(7-14-12)5-11-4-8-1-2-10(11)3-8;12-10(13,14)9(18,11(15,16)17)5-8-4-6-1-2-7(8)3-6;12-11-5-9(6-13-11)10-4-7-1-2-8(10)3-7;11-9(12,13)8(17,10(14,15)16)7-4-5-1-2-6(7)3-5;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;1-2-8-3-7(1)4-9(8)5-10-6-11-9;9-8(10,11)7(12)4-5-1-2-6(7)3-5;1-3-5-6-7-4-2;1-2-4-6-5-3-1;1-4-6-5(2)3;1-2-4-5-3-1;1-3-5-4-2;1-3-4-2/h1-2,7-14H,3-6H2;1-2,6-13H,3-5H2;4-5,8-10,12H,1-3,6-7H2;1-2,8-11H,3-7H2;1-2,6-8,18H,3-5H2;1-2,7-10H,3-6H2;1-2,5-7,17H,3-4H2;2,5-9H,1,3-4H2;1-2,8-9H,3-7H2;1-2,7-8H,3-6H2;1-2,5-6,12H,3-4H2;4H,2-3,5-6H2,1H3;2,4H,1,3,5H2;4-5H,1H2,2-3H3;1-2H,3-4H2;3H,1,4H2,2H3;3H,1H2,2H3
InChIKeyADTNIIBFZTYOJV-UHFFFAOYSA-N
XLogP28.40
TPSA389.69 Ų
H-Bond Donors3
H-Bond Acceptors31
Rotatable Bonds23
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002807.20
LogP ≤ 528.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1031

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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;2,5-dihydrofuran;3,4-dihydro-2H-pyran;1-ethenoxybutane;ethenoxyethane;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;2,5-dihydrofuran;3,4-dihydro-2H-pyran;1-ethenoxybutane;ethenoxyethane;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;2,5-dihydrofuran;3,4-dihydro-2H-pyran;1-ethenoxybutane;ethenoxyethane;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol (CID 157082981) is 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;2,5-dihydrofuran;3,4-dihydro-2H-pyran;1-ethenoxybutane;ethenoxyethane;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;2,5-dihydrofuran;3,4-dihydro-2H-pyran;1-ethenoxybutane;ethenoxyethane;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;2,5-dihydrofuran;3,4-dihydro-2H-pyran;1-ethenoxybutane;ethenoxyethane;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol is C1=CC2CC1CC21CCOC1.C1=CC2CC1CC21COCO1.C1=CCOC1.C1=COCCC1.C=COC.C=COC(C)C.C=COC1C2CC3C(=O)OC1C3C2.C=COCC.C=COCCCC.O=C(OC1C2CC3C(=O)OC1C3C2)C1CC2C=CC1C2.O=C(OC1C2CC3C(=O)OC1C3O2)C1CC2C=CC1C2.O=C1CC(C2CC3C=CC2C3)CO1.O=C1CC(CC2CC3C=CC2C3)CO1.O=C1CCCC1OC(=O)C1CC2C=CC1C2.OC(C1CC2C=CC1C2)(C(F)(F)F)C(F)(F)F.OC(CC1CC2C=CC1C2)(C(F)(F)F)C(F)(F)F.OC1(C(F)(F)F)CC2C=CC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;2,5-dihydrofuran;3,4-dihydro-2H-pyran;1-ethenoxybutane;ethenoxyethane;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol?
The InChIKey is ADTNIIBFZTYOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4.C15H16O5.C13H16O3.C12H16O2.C11H12F6O.C11H14O2.C10H10F6O.C10H12O3.C10H14O.C9H12O2.C8H9F3O.C6H12O.C5H8O.C5H10O.C4H6O.C4H8O.C3H6O/c17-15(10-4-7-1-2-8(10)3-7)19-13-9-5-11-12(6-9)16(18)20-14(11)13;16-14(8-4-6-1-2-7(8)3-6)19-12-10-5-9-11(18-10)13(12)20-15(9)17;14-11-2-1-3-12(11)16-13(15)10-7-8-4-5-9(10)6-8;13-12-6-9(7-14-12)5-11-4-8-1-2-10(11)3-8;12-10(13,14)9(18,11(15,16)17)5-8-4-6-1-2-7(8)3-6;12-11-5-9(6-13-11)10-4-7-1-2-8(10)3-7;11-9(12,13)8(17,10(14,15)16)7-4-5-1-2-6(7)3-5;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;1-2-8-3-7(1)4-9(8)5-10-6-11-9;9-8(10,11)7(12)4-5-1-2-6(7)3-5;1-3-5-6-7-4-2;1-2-4-6-5-3-1;1-4-6-5(2)3;1-2-4-5-3-1;1-3-5-4-2;1-3-4-2/h1-2,7-14H,3-6H2;1-2,6-13H,3-5H2;4-5,8-10,12H,1-3,6-7H2;1-2,8-11H,3-7H2;1-2,6-8,18H,3-5H2;1-2,7-10H,3-6H2;1-2,5-7,17H,3-4H2;2,5-9H,1,3-4H2;1-2,8-9H,3-7H2;1-2,7-8H,3-6H2;1-2,5-6,12H,3-4H2;4H,2-3,5-6H2,1H3;2,4H,1,3,5H2;4-5H,1H2,2-3H3;1-2H,3-4H2;3H,1,4H2,2H3;3H,1H2,2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;2,5-dihydrofuran;3,4-dihydro-2H-pyran;1-ethenoxybutane;ethenoxyethane;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol?
2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;2,5-dihydrofuran;3,4-dihydro-2H-pyran;1-ethenoxybutane;ethenoxyethane;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol has a molecular weight of 2807.20 g/mol, XLogP of 28.40, 23 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;2,5-dihydrofuran;3,4-dihydro-2H-pyran;1-ethenoxybutane;ethenoxyethane;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol is sourced from PubChem (CID 157082981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).