2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.1.0]hexane;1-tert-butylbicyclo[1.1.1]pentane;2-tert-butyl-1-fluoro-1-methylcyclopentane;2-tert-butyl-1-methoxy-1-methylcyclopentane;4-tert-butyloxolan-3-ol;1,1-difluoro-2,3-dimethylbutane;2,2-difluoro-3,4,4-trimethylpentane;bis(2,3-dimethylpentane);2,4-dimethylpentane;2,2-dimethylpropylcyclopropane;1-ethoxy-4-methylpentane;3-ethyl-2-methylpentane;3-ethyl-2,2,4-trimethylpentane;1-fluoro-3-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylcyclopentan-1-ol;2-methylpropylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yloxan-3-ol;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,2,3,4-tetramethylpentane

C248H474F6O7 — CID 167682063

IUPAC2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.1.0]hexane;1-tert-butylbicyclo[1.1.1]pentane;2-tert-butyl-1-fluoro-1-methylcyclopentane;2-tert-butyl-1-methoxy-1-methylcyclopentane;4-tert-butyloxolan-3-ol;1,1-difluoro-2,3-dimethylbutane;2,2-difluoro-3,4,4-trimethylpentane;bis(2,3-dimethylpentane);2,4-dimethylpentane;2,2-dimethylpropylcyclopropane;1-ethoxy-4-methylpentane;3-ethyl-2-methylpentane;3-ethyl-2,2,4-trimethylpentane;1-fluoro-3-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylcyclopentan-1-ol;2-methylpropylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yloxan-3-ol;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,2,3,4-tetramethylpentane
SMILESCC(C(C)(C)C)C(C)(F)F.CC(C)(C)C12CC(C1)C2.CC(C)(C)C1CC2CC2C1.CC(C)(C)C1CC2CCC1C2.CC(C)(C)C1CCCC1(C)F.CC(C)(C)C1COCC1O.CC(C)(C)CC1CC1.CC(C)C(C)C(C)(C)C.CC(C)C(C)C(F)F.CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCC1(C)O.CC(C)C1CCCC1C.CC(C)C1CCCCC1.CC(C)C1CCCc2ccccc21.CC(C)C1CCOCC1O.CC(C)C1CCc2ccccc21.CC(C)CC(C)C.CC(C)Cc1ccccc1.CC1CCC(C(C)C)CC1.CCC(C(C)C)C(C)(C)C.CCC(C)C(C)C.CCC(C)C(C)C.CCC(CC)C(C)C.CCOCCCC(C)C.COC1(C)CCCC1C(C)(C)C.Cc1cccc(F)c1C(C)C
InChIInChI=1S/C13H18.C12H16.C11H22O.C11H20.C10H19F.C10H13F.C10H18.C10H20.C10H14.C10H22.C9H18O.C9H16.2C9H18.C9H20.C8H16F2.2C8H16O2.C8H18O.2C8H16.C8H18.C7H14.3C7H16.C6H12F2.C6H12/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-10(2,3)9-7-6-8-11(9,4)12-5;1-11(2,3)10-7-8-4-5-9(10)6-8;1-9(2,3)8-6-5-7-10(8,4)11;1-7(2)10-8(3)5-4-6-9(10)11;1-10(2,3)9-5-7-4-8(7)6-9;1-8(2)10-6-4-9(3)5-7-10;1-9(2)8-10-6-4-3-5-7-10;1-7-9(8(2)3)10(4,5)6;1-7(2)8-5-4-6-9(8,3)10;1-8(2,3)9-4-7(5-9)6-9;1-7(2)9-6-4-5-8(9)3;1-8(2)9-6-4-3-5-7-9;1-7(2)8(3)9(4,5)6;1-6(7(2,3)4)8(5,9)10;1-8(2,3)6-4-10-5-7(6)9;1-6(2)7-3-4-10-5-8(7)9;1-4-9-7-5-6-8(2)3;1-8(2,3)6-7-4-5-7;1-7(2)8-5-3-4-6-8;1-5-8(6-2)7(3)4;1-6(2)7-4-3-5-7;1-6(2)5-7(3)4;2*1-5-7(4)6(2)3;1-4(2)5(3)6(7)8;1-5(2)6-3-4-6/h3-4,6,8,10,12H,5,7,9H2,1-2H3;3-6,9,11H,7-8H2,1-2H3;9H,6-8H2,1-5H3;8-10H,4-7H2,1-3H3;8H,5-7H2,1-4H3;4-7H,1-3H3;7-9H,4-6H2,1-3H3;8-10H,4-7H2,1-3H3;3-7,9H,8H2,1-2H3;8-9H,7H2,1-6H3;7-8,10H,4-6H2,1-3H3;7H,4-6H2,1-3H3;7-9H,4-6H2,1-3H3;8-9H,3-7H2,1-2H3;7-8H,1-6H3;6H,1-5H3;6-7,9H,4-5H2,1-3H3;6-9H,3-5H2,1-2H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;3*6-7H,5H2,1-4H3;4-6H,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyVRLJSTJLUWJIGT-UHFFFAOYSA-N
MW3682.50 g/mol
LogP80.17
Rot. Bonds35

About 2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.1.0]hexane;1-tert-butylbicyclo[1.1.1]pentane;2-tert-butyl-1-fluoro-1-methylcyclopentane;2-tert-butyl-1-methoxy-1-methylcyclopentane;4-tert-butyloxolan-3-ol;1,1-difluoro-2,3-dimethylbutane;2,2-difluoro-3,4,4-trimethylpentane;bis(2,3-dimethylpentane);2,4-dimethylpentane;2,2-dimethylpropylcyclopropane;1-ethoxy-4-methylpentane;3-ethyl-2-methylpentane;3-ethyl-2,2,4-trimethylpentane;1-fluoro-3-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylcyclopentan-1-ol;2-methylpropylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yloxan-3-ol;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,2,3,4-tetramethylpentane

2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.1.0]hexane;1-tert-butylbicyclo[1.1.1]pentane;2-tert-butyl-1-fluoro-1-methylcyclopentane;2-tert-butyl-1-methoxy-1-methylcyclopentane;4-tert-butyloxolan-3-ol;1,1-difluoro-2,3-dimethylbutane;2,2-difluoro-3,4,4-trimethylpentane;bis(2,3-dimethylpentane);2,4-dimethylpentane;2,2-dimethylpropylcyclopropane;1-ethoxy-4-methylpentane;3-ethyl-2-methylpentane;3-ethyl-2,2,4-trimethylpentane;1-fluoro-3-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylcyclopentan-1-ol;2-methylpropylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yloxan-3-ol;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,2,3,4-tetramethylpentane (PubChem CID 167682063) has the molecular formula C248H474F6O7 and a molecular weight of 3682.50 g/mol. Its IUPAC name is 2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.1.0]hexane;1-tert-butylbicyclo[1.1.1]pentane;2-tert-butyl-1-fluoro-1-methylcyclopentane;2-tert-butyl-1-methoxy-1-methylcyclopentane;4-tert-butyloxolan-3-ol;1,1-difluoro-2,3-dimethylbutane;2,2-difluoro-3,4,4-trimethylpentane;bis(2,3-dimethylpentane);2,4-dimethylpentane;2,2-dimethylpropylcyclopropane;1-ethoxy-4-methylpentane;3-ethyl-2-methylpentane;3-ethyl-2,2,4-trimethylpentane;1-fluoro-3-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylcyclopentan-1-ol;2-methylpropylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yloxan-3-ol;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,2,3,4-tetramethylpentane.

Molecular Properties

Compound Name2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.1.0]hexane;1-tert-butylbicyclo[1.1.1]pentane;2-tert-butyl-1-fluoro-1-methylcyclopentane;2-tert-butyl-1-methoxy-1-methylcyclopentane;4-tert-butyloxolan-3-ol;1,1-difluoro-2,3-dimethylbutane;2,2-difluoro-3,4,4-trimethylpentane;bis(2,3-dimethylpentane);2,4-dimethylpentane;2,2-dimethylpropylcyclopropane;1-ethoxy-4-methylpentane;3-ethyl-2-methylpentane;3-ethyl-2,2,4-trimethylpentane;1-fluoro-3-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylcyclopentan-1-ol;2-methylpropylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yloxan-3-ol;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,2,3,4-tetramethylpentane
PubChem CID167682063
Molecular FormulaC248H474F6O7
Molecular Weight3682.50 g/mol
Exact Mass3679.66
IUPAC Name2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.1.0]hexane;1-tert-butylbicyclo[1.1.1]pentane;2-tert-butyl-1-fluoro-1-methylcyclopentane;2-tert-butyl-1-methoxy-1-methylcyclopentane;4-tert-butyloxolan-3-ol;1,1-difluoro-2,3-dimethylbutane;2,2-difluoro-3,4,4-trimethylpentane;bis(2,3-dimethylpentane);2,4-dimethylpentane;2,2-dimethylpropylcyclopropane;1-ethoxy-4-methylpentane;3-ethyl-2-methylpentane;3-ethyl-2,2,4-trimethylpentane;1-fluoro-3-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylcyclopentan-1-ol;2-methylpropylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yloxan-3-ol;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,2,3,4-tetramethylpentane
SMILESCC(C(C)(C)C)C(C)(F)F.CC(C)(C)C12CC(C1)C2.CC(C)(C)C1CC2CC2C1.CC(C)(C)C1CC2CCC1C2.CC(C)(C)C1CCCC1(C)F.CC(C)(C)C1COCC1O.CC(C)(C)CC1CC1.CC(C)C(C)C(C)(C)C.CC(C)C(C)C(F)F.CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCC1(C)O.CC(C)C1CCCC1C.CC(C)C1CCCCC1.CC(C)C1CCCc2ccccc21.CC(C)C1CCOCC1O.CC(C)C1CCc2ccccc21.CC(C)CC(C)C.CC(C)Cc1ccccc1.CC1CCC(C(C)C)CC1.CCC(C(C)C)C(C)(C)C.CCC(C)C(C)C.CCC(C)C(C)C.CCC(CC)C(C)C.CCOCCCC(C)C.COC1(C)CCCC1C(C)(C)C.Cc1cccc(F)c1C(C)C
InChIInChI=1S/C13H18.C12H16.C11H22O.C11H20.C10H19F.C10H13F.C10H18.C10H20.C10H14.C10H22.C9H18O.C9H16.2C9H18.C9H20.C8H16F2.2C8H16O2.C8H18O.2C8H16.C8H18.C7H14.3C7H16.C6H12F2.C6H12/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-10(2,3)9-7-6-8-11(9,4)12-5;1-11(2,3)10-7-8-4-5-9(10)6-8;1-9(2,3)8-6-5-7-10(8,4)11;1-7(2)10-8(3)5-4-6-9(10)11;1-10(2,3)9-5-7-4-8(7)6-9;1-8(2)10-6-4-9(3)5-7-10;1-9(2)8-10-6-4-3-5-7-10;1-7-9(8(2)3)10(4,5)6;1-7(2)8-5-4-6-9(8,3)10;1-8(2,3)9-4-7(5-9)6-9;1-7(2)9-6-4-5-8(9)3;1-8(2)9-6-4-3-5-7-9;1-7(2)8(3)9(4,5)6;1-6(7(2,3)4)8(5,9)10;1-8(2,3)6-4-10-5-7(6)9;1-6(2)7-3-4-10-5-8(7)9;1-4-9-7-5-6-8(2)3;1-8(2,3)6-7-4-5-7;1-7(2)8-5-3-4-6-8;1-5-8(6-2)7(3)4;1-6(2)7-4-3-5-7;1-6(2)5-7(3)4;2*1-5-7(4)6(2)3;1-4(2)5(3)6(7)8;1-5(2)6-3-4-6/h3-4,6,8,10,12H,5,7,9H2,1-2H3;3-6,9,11H,7-8H2,1-2H3;9H,6-8H2,1-5H3;8-10H,4-7H2,1-3H3;8H,5-7H2,1-4H3;4-7H,1-3H3;7-9H,4-6H2,1-3H3;8-10H,4-7H2,1-3H3;3-7,9H,8H2,1-2H3;8-9H,7H2,1-6H3;7-8,10H,4-6H2,1-3H3;7H,4-6H2,1-3H3;7-9H,4-6H2,1-3H3;8-9H,3-7H2,1-2H3;7-8H,1-6H3;6H,1-5H3;6-7,9H,4-5H2,1-3H3;6-9H,3-5H2,1-2H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;3*6-7H,5H2,1-4H3;4-6H,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyVRLJSTJLUWJIGT-UHFFFAOYSA-N
XLogP80.17
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds35
Heavy Atoms261
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003682.50
LogP ≤ 580.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.1.0]hexane;1-tert-butylbicyclo[1.1.1]pentane;2-tert-butyl-1-fluoro-1-methylcyclopentane;2-tert-butyl-1-methoxy-1-methylcyclopentane;4-tert-butyloxolan-3-ol;1,1-difluoro-2,3-dimethylbutane;2,2-difluoro-3,4,4-trimethylpentane;bis(2,3-dimethylpentane);2,4-dimethylpentane;2,2-dimethylpropylcyclopropane;1-ethoxy-4-methylpentane;3-ethyl-2-methylpentane;3-ethyl-2,2,4-trimethylpentane;1-fluoro-3-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylcyclopentan-1-ol;2-methylpropylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yloxan-3-ol;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,2,3,4-tetramethylpentane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.1.0]hexane;1-tert-butylbicyclo[1.1.1]pentane;2-tert-butyl-1-fluoro-1-methylcyclopentane;2-tert-butyl-1-methoxy-1-methylcyclopentane;4-tert-butyloxolan-3-ol;1,1-difluoro-2,3-dimethylbutane;2,2-difluoro-3,4,4-trimethylpentane;bis(2,3-dimethylpentane);2,4-dimethylpentane;2,2-dimethylpropylcyclopropane;1-ethoxy-4-methylpentane;3-ethyl-2-methylpentane;3-ethyl-2,2,4-trimethylpentane;1-fluoro-3-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylcyclopentan-1-ol;2-methylpropylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yloxan-3-ol;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,2,3,4-tetramethylpentane?
The IUPAC name of 2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.1.0]hexane;1-tert-butylbicyclo[1.1.1]pentane;2-tert-butyl-1-fluoro-1-methylcyclopentane;2-tert-butyl-1-methoxy-1-methylcyclopentane;4-tert-butyloxolan-3-ol;1,1-difluoro-2,3-dimethylbutane;2,2-difluoro-3,4,4-trimethylpentane;bis(2,3-dimethylpentane);2,4-dimethylpentane;2,2-dimethylpropylcyclopropane;1-ethoxy-4-methylpentane;3-ethyl-2-methylpentane;3-ethyl-2,2,4-trimethylpentane;1-fluoro-3-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylcyclopentan-1-ol;2-methylpropylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yloxan-3-ol;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,2,3,4-tetramethylpentane (CID 167682063) is 2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.1.0]hexane;1-tert-butylbicyclo[1.1.1]pentane;2-tert-butyl-1-fluoro-1-methylcyclopentane;2-tert-butyl-1-methoxy-1-methylcyclopentane;4-tert-butyloxolan-3-ol;1,1-difluoro-2,3-dimethylbutane;2,2-difluoro-3,4,4-trimethylpentane;bis(2,3-dimethylpentane);2,4-dimethylpentane;2,2-dimethylpropylcyclopropane;1-ethoxy-4-methylpentane;3-ethyl-2-methylpentane;3-ethyl-2,2,4-trimethylpentane;1-fluoro-3-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylcyclopentan-1-ol;2-methylpropylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yloxan-3-ol;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,2,3,4-tetramethylpentane.
What is the SMILES notation for 2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.1.0]hexane;1-tert-butylbicyclo[1.1.1]pentane;2-tert-butyl-1-fluoro-1-methylcyclopentane;2-tert-butyl-1-methoxy-1-methylcyclopentane;4-tert-butyloxolan-3-ol;1,1-difluoro-2,3-dimethylbutane;2,2-difluoro-3,4,4-trimethylpentane;bis(2,3-dimethylpentane);2,4-dimethylpentane;2,2-dimethylpropylcyclopropane;1-ethoxy-4-methylpentane;3-ethyl-2-methylpentane;3-ethyl-2,2,4-trimethylpentane;1-fluoro-3-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylcyclopentan-1-ol;2-methylpropylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yloxan-3-ol;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,2,3,4-tetramethylpentane?
The canonical SMILES for 2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.1.0]hexane;1-tert-butylbicyclo[1.1.1]pentane;2-tert-butyl-1-fluoro-1-methylcyclopentane;2-tert-butyl-1-methoxy-1-methylcyclopentane;4-tert-butyloxolan-3-ol;1,1-difluoro-2,3-dimethylbutane;2,2-difluoro-3,4,4-trimethylpentane;bis(2,3-dimethylpentane);2,4-dimethylpentane;2,2-dimethylpropylcyclopropane;1-ethoxy-4-methylpentane;3-ethyl-2-methylpentane;3-ethyl-2,2,4-trimethylpentane;1-fluoro-3-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylcyclopentan-1-ol;2-methylpropylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yloxan-3-ol;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,2,3,4-tetramethylpentane is CC(C(C)(C)C)C(C)(F)F.CC(C)(C)C12CC(C1)C2.CC(C)(C)C1CC2CC2C1.CC(C)(C)C1CC2CCC1C2.CC(C)(C)C1CCCC1(C)F.CC(C)(C)C1COCC1O.CC(C)(C)CC1CC1.CC(C)C(C)C(C)(C)C.CC(C)C(C)C(F)F.CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCC1(C)O.CC(C)C1CCCC1C.CC(C)C1CCCCC1.CC(C)C1CCCc2ccccc21.CC(C)C1CCOCC1O.CC(C)C1CCc2ccccc21.CC(C)CC(C)C.CC(C)Cc1ccccc1.CC1CCC(C(C)C)CC1.CCC(C(C)C)C(C)(C)C.CCC(C)C(C)C.CCC(C)C(C)C.CCC(CC)C(C)C.CCOCCCC(C)C.COC1(C)CCCC1C(C)(C)C.Cc1cccc(F)c1C(C)C.
What is the InChIKey of 2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.1.0]hexane;1-tert-butylbicyclo[1.1.1]pentane;2-tert-butyl-1-fluoro-1-methylcyclopentane;2-tert-butyl-1-methoxy-1-methylcyclopentane;4-tert-butyloxolan-3-ol;1,1-difluoro-2,3-dimethylbutane;2,2-difluoro-3,4,4-trimethylpentane;bis(2,3-dimethylpentane);2,4-dimethylpentane;2,2-dimethylpropylcyclopropane;1-ethoxy-4-methylpentane;3-ethyl-2-methylpentane;3-ethyl-2,2,4-trimethylpentane;1-fluoro-3-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylcyclopentan-1-ol;2-methylpropylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yloxan-3-ol;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,2,3,4-tetramethylpentane?
The InChIKey is VRLJSTJLUWJIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.C12H16.C11H22O.C11H20.C10H19F.C10H13F.C10H18.C10H20.C10H14.C10H22.C9H18O.C9H16.2C9H18.C9H20.C8H16F2.2C8H16O2.C8H18O.2C8H16.C8H18.C7H14.3C7H16.C6H12F2.C6H12/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-10(2,3)9-7-6-8-11(9,4)12-5;1-11(2,3)10-7-8-4-5-9(10)6-8;1-9(2,3)8-6-5-7-10(8,4)11;1-7(2)10-8(3)5-4-6-9(10)11;1-10(2,3)9-5-7-4-8(7)6-9;1-8(2)10-6-4-9(3)5-7-10;1-9(2)8-10-6-4-3-5-7-10;1-7-9(8(2)3)10(4,5)6;1-7(2)8-5-4-6-9(8,3)10;1-8(2,3)9-4-7(5-9)6-9;1-7(2)9-6-4-5-8(9)3;1-8(2)9-6-4-3-5-7-9;1-7(2)8(3)9(4,5)6;1-6(7(2,3)4)8(5,9)10;1-8(2,3)6-4-10-5-7(6)9;1-6(2)7-3-4-10-5-8(7)9;1-4-9-7-5-6-8(2)3;1-8(2,3)6-7-4-5-7;1-7(2)8-5-3-4-6-8;1-5-8(6-2)7(3)4;1-6(2)7-4-3-5-7;1-6(2)5-7(3)4;2*1-5-7(4)6(2)3;1-4(2)5(3)6(7)8;1-5(2)6-3-4-6/h3-4,6,8,10,12H,5,7,9H2,1-2H3;3-6,9,11H,7-8H2,1-2H3;9H,6-8H2,1-5H3;8-10H,4-7H2,1-3H3;8H,5-7H2,1-4H3;4-7H,1-3H3;7-9H,4-6H2,1-3H3;8-10H,4-7H2,1-3H3;3-7,9H,8H2,1-2H3;8-9H,7H2,1-6H3;7-8,10H,4-6H2,1-3H3;7H,4-6H2,1-3H3;7-9H,4-6H2,1-3H3;8-9H,3-7H2,1-2H3;7-8H,1-6H3;6H,1-5H3;6-7,9H,4-5H2,1-3H3;6-9H,3-5H2,1-2H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;3*6-7H,5H2,1-4H3;4-6H,1-3H3;5-6H,3-4H2,1-2H3.
What are the key properties of 2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.1.0]hexane;1-tert-butylbicyclo[1.1.1]pentane;2-tert-butyl-1-fluoro-1-methylcyclopentane;2-tert-butyl-1-methoxy-1-methylcyclopentane;4-tert-butyloxolan-3-ol;1,1-difluoro-2,3-dimethylbutane;2,2-difluoro-3,4,4-trimethylpentane;bis(2,3-dimethylpentane);2,4-dimethylpentane;2,2-dimethylpropylcyclopropane;1-ethoxy-4-methylpentane;3-ethyl-2-methylpentane;3-ethyl-2,2,4-trimethylpentane;1-fluoro-3-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylcyclopentan-1-ol;2-methylpropylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yloxan-3-ol;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,2,3,4-tetramethylpentane?
2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.1.0]hexane;1-tert-butylbicyclo[1.1.1]pentane;2-tert-butyl-1-fluoro-1-methylcyclopentane;2-tert-butyl-1-methoxy-1-methylcyclopentane;4-tert-butyloxolan-3-ol;1,1-difluoro-2,3-dimethylbutane;2,2-difluoro-3,4,4-trimethylpentane;bis(2,3-dimethylpentane);2,4-dimethylpentane;2,2-dimethylpropylcyclopropane;1-ethoxy-4-methylpentane;3-ethyl-2-methylpentane;3-ethyl-2,2,4-trimethylpentane;1-fluoro-3-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylcyclopentan-1-ol;2-methylpropylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yloxan-3-ol;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,2,3,4-tetramethylpentane has a molecular weight of 3682.50 g/mol, XLogP of 80.17, 35 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.1.0]hexane;1-tert-butylbicyclo[1.1.1]pentane;2-tert-butyl-1-fluoro-1-methylcyclopentane;2-tert-butyl-1-methoxy-1-methylcyclopentane;4-tert-butyloxolan-3-ol;1,1-difluoro-2,3-dimethylbutane;2,2-difluoro-3,4,4-trimethylpentane;bis(2,3-dimethylpentane);2,4-dimethylpentane;2,2-dimethylpropylcyclopropane;1-ethoxy-4-methylpentane;3-ethyl-2-methylpentane;3-ethyl-2,2,4-trimethylpentane;1-fluoro-3-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylcyclopentan-1-ol;2-methylpropylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yloxan-3-ol;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,2,3,4-tetramethylpentane is sourced from PubChem (CID 167682063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).