butan-2-ylcyclopropane;1-cyclopropylethylcyclopropane;1,1-difluoro-4-methylcyclohexane;1,1-difluoro-3-methylcyclopentane;1,4-dimethylpiperazine;2,2-dimethylpropane;1-methoxy-2-methylpropane;2-methylbutane;methylcycloheptane;methylcyclohexane;4-methylcyclohexan-1-ol;4-methylcyclohexan-1-one;6-methyl-1,4-dioxepane;4-methylmorpholine;3-methyloxane;(3R)-3-methyloxane;(3S)-3-methyloxane;4-methyloxane;7-methyl-4-oxaspiro[2.5]octane;3-methyl-1,3-oxazinane;3-methyloxepane;4-methyloxepane;3-methylpentane;1-methylpiperazine;1-methylpiperidine;1-methylpiperidin-4-ol;2-methylpropane;1-methylpyrrolidine;1-methylpyrrolidin-3-ol;6-methylspiro[2.4]heptane;5-methylspiro[2.3]hexane;6-methylspiro[2.5]octane;7-methylspiro[2.5]octane;8-methylspiro[2.5]octane;propane;tris(propan-2-ylcyclopropane);1,1,4-trimethylcyclohexane

C249H500F4N10O16 — CID 165108316

IUPACbutan-2-ylcyclopropane;1-cyclopropylethylcyclopropane;1,1-difluoro-4-methylcyclohexane;1,1-difluoro-3-methylcyclopentane;1,4-dimethylpiperazine;2,2-dimethylpropane;1-methoxy-2-methylpropane;2-methylbutane;methylcycloheptane;methylcyclohexane;4-methylcyclohexan-1-ol;4-methylcyclohexan-1-one;6-methyl-1,4-dioxepane;4-methylmorpholine;3-methyloxane;(3R)-3-methyloxane;(3S)-3-methyloxane;4-methyloxane;7-methyl-4-oxaspiro[2.5]octane;3-methyl-1,3-oxazinane;3-methyloxepane;4-methyloxepane;3-methylpentane;1-methylpiperazine;1-methylpiperidine;1-methylpiperidin-4-ol;2-methylpropane;1-methylpyrrolidine;1-methylpyrrolidin-3-ol;6-methylspiro[2.4]heptane;5-methylspiro[2.3]hexane;6-methylspiro[2.5]octane;7-methylspiro[2.5]octane;8-methylspiro[2.5]octane;propane;tris(propan-2-ylcyclopropane);1,1,4-trimethylcyclohexane
SMILESCC(C)(C)C.CC(C)C.CC(C)C1CC1.CC(C)C1CC1.CC(C)C1CC1.CC(C1CC1)C1CC1.CC1CC2(CC2)C1.CC1CCC(=O)CC1.CC1CCC(C)(C)CC1.CC1CCC(F)(F)C1.CC1CCC(F)(F)CC1.CC1CCC(O)CC1.CC1CCC2(CC1)CC2.CC1CCC2(CC2)C1.CC1CCCC2(CC2)C1.CC1CCCCC1.CC1CCCCC12CC2.CC1CCCCCC1.CC1CCCCOC1.CC1CCCOC1.CC1CCCOCC1.CC1CCOC2(CC2)C1.CC1CCOCC1.CC1COCCOC1.CCC.CCC(C)C.CCC(C)C1CC1.CCC(C)CC.CN1CCC(O)C1.CN1CCC(O)CC1.CN1CCCC1.CN1CCCCC1.CN1CCCOC1.CN1CCN(C)CC1.CN1CCNCC1.CN1CCOCC1.COCC(C)C.C[C@@H]1CCCOC1.C[C@H]1CCCOC1
InChIInChI=1S/3C9H16.C9H18.C8H14O.2C8H14.C8H16.C7H12F2.C7H14O.C7H12O.2C7H14O.C7H12.2C7H14.C6H10F2.C6H14N2.C6H13NO.C6H13N.C6H12O2.4C6H12O.3C6H12.C6H14.C5H12N2.3C5H11NO.C5H11N.C5H12O.2C5H12.C4H10.C3H8/c1-8-2-4-9(5-3-8)6-7-9;1-8-3-2-4-9(7-8)5-6-9;1-8-4-2-3-5-9(8)6-7-9;1-8-4-6-9(2,3)7-5-8;1-7-2-5-9-8(6-7)3-4-8;1-7-2-3-8(6-7)4-5-8;1-6(7-2-3-7)8-4-5-8;1-8-6-4-2-3-5-7-8;1-6-2-4-7(8,9)5-3-6;2*1-6-2-4-7(8)5-3-6;1-7-3-2-5-8-6-4-7;1-7-4-2-3-5-8-6-7;1-6-4-7(5-6)2-3-7;1-7-5-3-2-4-6-7;1-3-6(2)7-4-5-7;1-5-2-3-6(7,8)4-5;1-7-3-5-8(2)6-4-7;1-7-4-2-6(8)3-5-7;1-7-5-3-2-4-6-7;1-6-4-7-2-3-8-5-6;1-6-2-4-7-5-3-6;3*1-6-3-2-4-7-5-6;3*1-5(2)6-3-4-6;1-4-6(3)5-2;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-6-3-2-5(7)4-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-6;1-5(2)4-6-3;1-5(2,3)4;1-4-5(2)3;1-4(2)3;1-3-2/h3*8H,2-7H2,1H3;8H,4-7H2,1-3H3;7H,2-6H2,1H3;7H,2-6H2,1H3;6-8H,2-5H2,1H3;8H,2-7H2,1H3;6H,2-5H2,1H3;6-8H,2-5H2,1H3;6H,2-5H2,1H3;2*7H,2-6H2,1H3;6H,2-5H2,1H3;7H,2-6H2,1H3;6-7H,3-5H2,1-2H3;5H,2-4H2,1H3;3-6H2,1-2H3;6,8H,2-5H2,1H3;2-6H2,1H3;6H,2-5H2,1H3;4*6H,2-5H2,1H3;3*5-6H,3-4H2,1-2H3;6H,4-5H2,1-3H3;6H,2-5H2,1H3;2-5H2,1H3;5,7H,2-4H2,1H3;2-5H2,1H3;2-5H2,1H3;5H,4H2,1-3H3;1-4H3;5H,4H2,1-3H3;4H,1-3H3;3H2,1-2H3/t;;;;;;;;;;;;;;;;;;;;;;2*6-;;;;;;;;;;;;;;;/m......................10.............../s1
InChIKeyZNEXHAIOJWOLNL-OZOMRBBMSA-N
MW3966.78 g/mol
LogP66.26
Rot. Bonds12

About butan-2-ylcyclopropane;1-cyclopropylethylcyclopropane;1,1-difluoro-4-methylcyclohexane;1,1-difluoro-3-methylcyclopentane;1,4-dimethylpiperazine;2,2-dimethylpropane;1-methoxy-2-methylpropane;2-methylbutane;methylcycloheptane;methylcyclohexane;4-methylcyclohexan-1-ol;4-methylcyclohexan-1-one;6-methyl-1,4-dioxepane;4-methylmorpholine;3-methyloxane;(3R)-3-methyloxane;(3S)-3-methyloxane;4-methyloxane;7-methyl-4-oxaspiro[2.5]octane;3-methyl-1,3-oxazinane;3-methyloxepane;4-methyloxepane;3-methylpentane;1-methylpiperazine;1-methylpiperidine;1-methylpiperidin-4-ol;2-methylpropane;1-methylpyrrolidine;1-methylpyrrolidin-3-ol;6-methylspiro[2.4]heptane;5-methylspiro[2.3]hexane;6-methylspiro[2.5]octane;7-methylspiro[2.5]octane;8-methylspiro[2.5]octane;propane;tris(propan-2-ylcyclopropane);1,1,4-trimethylcyclohexane

butan-2-ylcyclopropane;1-cyclopropylethylcyclopropane;1,1-difluoro-4-methylcyclohexane;1,1-difluoro-3-methylcyclopentane;1,4-dimethylpiperazine;2,2-dimethylpropane;1-methoxy-2-methylpropane;2-methylbutane;methylcycloheptane;methylcyclohexane;4-methylcyclohexan-1-ol;4-methylcyclohexan-1-one;6-methyl-1,4-dioxepane;4-methylmorpholine;3-methyloxane;(3R)-3-methyloxane;(3S)-3-methyloxane;4-methyloxane;7-methyl-4-oxaspiro[2.5]octane;3-methyl-1,3-oxazinane;3-methyloxepane;4-methyloxepane;3-methylpentane;1-methylpiperazine;1-methylpiperidine;1-methylpiperidin-4-ol;2-methylpropane;1-methylpyrrolidine;1-methylpyrrolidin-3-ol;6-methylspiro[2.4]heptane;5-methylspiro[2.3]hexane;6-methylspiro[2.5]octane;7-methylspiro[2.5]octane;8-methylspiro[2.5]octane;propane;tris(propan-2-ylcyclopropane);1,1,4-trimethylcyclohexane (PubChem CID 165108316) has the molecular formula C249H500F4N10O16 and a molecular weight of 3966.78 g/mol. Its IUPAC name is butan-2-ylcyclopropane;1-cyclopropylethylcyclopropane;1,1-difluoro-4-methylcyclohexane;1,1-difluoro-3-methylcyclopentane;1,4-dimethylpiperazine;2,2-dimethylpropane;1-methoxy-2-methylpropane;2-methylbutane;methylcycloheptane;methylcyclohexane;4-methylcyclohexan-1-ol;4-methylcyclohexan-1-one;6-methyl-1,4-dioxepane;4-methylmorpholine;3-methyloxane;(3R)-3-methyloxane;(3S)-3-methyloxane;4-methyloxane;7-methyl-4-oxaspiro[2.5]octane;3-methyl-1,3-oxazinane;3-methyloxepane;4-methyloxepane;3-methylpentane;1-methylpiperazine;1-methylpiperidine;1-methylpiperidin-4-ol;2-methylpropane;1-methylpyrrolidine;1-methylpyrrolidin-3-ol;6-methylspiro[2.4]heptane;5-methylspiro[2.3]hexane;6-methylspiro[2.5]octane;7-methylspiro[2.5]octane;8-methylspiro[2.5]octane;propane;tris(propan-2-ylcyclopropane);1,1,4-trimethylcyclohexane.

Molecular Properties

Compound Namebutan-2-ylcyclopropane;1-cyclopropylethylcyclopropane;1,1-difluoro-4-methylcyclohexane;1,1-difluoro-3-methylcyclopentane;1,4-dimethylpiperazine;2,2-dimethylpropane;1-methoxy-2-methylpropane;2-methylbutane;methylcycloheptane;methylcyclohexane;4-methylcyclohexan-1-ol;4-methylcyclohexan-1-one;6-methyl-1,4-dioxepane;4-methylmorpholine;3-methyloxane;(3R)-3-methyloxane;(3S)-3-methyloxane;4-methyloxane;7-methyl-4-oxaspiro[2.5]octane;3-methyl-1,3-oxazinane;3-methyloxepane;4-methyloxepane;3-methylpentane;1-methylpiperazine;1-methylpiperidine;1-methylpiperidin-4-ol;2-methylpropane;1-methylpyrrolidine;1-methylpyrrolidin-3-ol;6-methylspiro[2.4]heptane;5-methylspiro[2.3]hexane;6-methylspiro[2.5]octane;7-methylspiro[2.5]octane;8-methylspiro[2.5]octane;propane;tris(propan-2-ylcyclopropane);1,1,4-trimethylcyclohexane
PubChem CID165108316
Molecular FormulaC249H500F4N10O16
Molecular Weight3966.78 g/mol
Exact Mass3963.86
IUPAC Namebutan-2-ylcyclopropane;1-cyclopropylethylcyclopropane;1,1-difluoro-4-methylcyclohexane;1,1-difluoro-3-methylcyclopentane;1,4-dimethylpiperazine;2,2-dimethylpropane;1-methoxy-2-methylpropane;2-methylbutane;methylcycloheptane;methylcyclohexane;4-methylcyclohexan-1-ol;4-methylcyclohexan-1-one;6-methyl-1,4-dioxepane;4-methylmorpholine;3-methyloxane;(3R)-3-methyloxane;(3S)-3-methyloxane;4-methyloxane;7-methyl-4-oxaspiro[2.5]octane;3-methyl-1,3-oxazinane;3-methyloxepane;4-methyloxepane;3-methylpentane;1-methylpiperazine;1-methylpiperidine;1-methylpiperidin-4-ol;2-methylpropane;1-methylpyrrolidine;1-methylpyrrolidin-3-ol;6-methylspiro[2.4]heptane;5-methylspiro[2.3]hexane;6-methylspiro[2.5]octane;7-methylspiro[2.5]octane;8-methylspiro[2.5]octane;propane;tris(propan-2-ylcyclopropane);1,1,4-trimethylcyclohexane
SMILESCC(C)(C)C.CC(C)C.CC(C)C1CC1.CC(C)C1CC1.CC(C)C1CC1.CC(C1CC1)C1CC1.CC1CC2(CC2)C1.CC1CCC(=O)CC1.CC1CCC(C)(C)CC1.CC1CCC(F)(F)C1.CC1CCC(F)(F)CC1.CC1CCC(O)CC1.CC1CCC2(CC1)CC2.CC1CCC2(CC2)C1.CC1CCCC2(CC2)C1.CC1CCCCC1.CC1CCCCC12CC2.CC1CCCCCC1.CC1CCCCOC1.CC1CCCOC1.CC1CCCOCC1.CC1CCOC2(CC2)C1.CC1CCOCC1.CC1COCCOC1.CCC.CCC(C)C.CCC(C)C1CC1.CCC(C)CC.CN1CCC(O)C1.CN1CCC(O)CC1.CN1CCCC1.CN1CCCCC1.CN1CCCOC1.CN1CCN(C)CC1.CN1CCNCC1.CN1CCOCC1.COCC(C)C.C[C@@H]1CCCOC1.C[C@H]1CCCOC1
InChIInChI=1S/3C9H16.C9H18.C8H14O.2C8H14.C8H16.C7H12F2.C7H14O.C7H12O.2C7H14O.C7H12.2C7H14.C6H10F2.C6H14N2.C6H13NO.C6H13N.C6H12O2.4C6H12O.3C6H12.C6H14.C5H12N2.3C5H11NO.C5H11N.C5H12O.2C5H12.C4H10.C3H8/c1-8-2-4-9(5-3-8)6-7-9;1-8-3-2-4-9(7-8)5-6-9;1-8-4-2-3-5-9(8)6-7-9;1-8-4-6-9(2,3)7-5-8;1-7-2-5-9-8(6-7)3-4-8;1-7-2-3-8(6-7)4-5-8;1-6(7-2-3-7)8-4-5-8;1-8-6-4-2-3-5-7-8;1-6-2-4-7(8,9)5-3-6;2*1-6-2-4-7(8)5-3-6;1-7-3-2-5-8-6-4-7;1-7-4-2-3-5-8-6-7;1-6-4-7(5-6)2-3-7;1-7-5-3-2-4-6-7;1-3-6(2)7-4-5-7;1-5-2-3-6(7,8)4-5;1-7-3-5-8(2)6-4-7;1-7-4-2-6(8)3-5-7;1-7-5-3-2-4-6-7;1-6-4-7-2-3-8-5-6;1-6-2-4-7-5-3-6;3*1-6-3-2-4-7-5-6;3*1-5(2)6-3-4-6;1-4-6(3)5-2;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-6-3-2-5(7)4-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-6;1-5(2)4-6-3;1-5(2,3)4;1-4-5(2)3;1-4(2)3;1-3-2/h3*8H,2-7H2,1H3;8H,4-7H2,1-3H3;7H,2-6H2,1H3;7H,2-6H2,1H3;6-8H,2-5H2,1H3;8H,2-7H2,1H3;6H,2-5H2,1H3;6-8H,2-5H2,1H3;6H,2-5H2,1H3;2*7H,2-6H2,1H3;6H,2-5H2,1H3;7H,2-6H2,1H3;6-7H,3-5H2,1-2H3;5H,2-4H2,1H3;3-6H2,1-2H3;6,8H,2-5H2,1H3;2-6H2,1H3;6H,2-5H2,1H3;4*6H,2-5H2,1H3;3*5-6H,3-4H2,1-2H3;6H,4-5H2,1-3H3;6H,2-5H2,1H3;2-5H2,1H3;5,7H,2-4H2,1H3;2-5H2,1H3;2-5H2,1H3;5H,4H2,1-3H3;1-4H3;5H,4H2,1-3H3;4H,1-3H3;3H2,1-2H3/t;;;;;;;;;;;;;;;;;;;;;;2*6-;;;;;;;;;;;;;;;/m......................10.............../s1
InChIKeyZNEXHAIOJWOLNL-OZOMRBBMSA-N
XLogP66.26
TPSA229.71 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms279
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003966.78
LogP ≤ 566.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze butan-2-ylcyclopropane;1-cyclopropylethylcyclopropane;1,1-difluoro-4-methylcyclohexane;1,1-difluoro-3-methylcyclopentane;1,4-dimethylpiperazine;2,2-dimethylpropane;1-methoxy-2-methylpropane;2-methylbutane;methylcycloheptane;methylcyclohexane;4-methylcyclohexan-1-ol;4-methylcyclohexan-1-one;6-methyl-1,4-dioxepane;4-methylmorpholine;3-methyloxane;(3R)-3-methyloxane;(3S)-3-methyloxane;4-methyloxane;7-methyl-4-oxaspiro[2.5]octane;3-methyl-1,3-oxazinane;3-methyloxepane;4-methyloxepane;3-methylpentane;1-methylpiperazine;1-methylpiperidine;1-methylpiperidin-4-ol;2-methylpropane;1-methylpyrrolidine;1-methylpyrrolidin-3-ol;6-methylspiro[2.4]heptane;5-methylspiro[2.3]hexane;6-methylspiro[2.5]octane;7-methylspiro[2.5]octane;8-methylspiro[2.5]octane;propane;tris(propan-2-ylcyclopropane);1,1,4-trimethylcyclohexane with MolForge

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Frequently Asked Questions

What is the IUPAC name of butan-2-ylcyclopropane;1-cyclopropylethylcyclopropane;1,1-difluoro-4-methylcyclohexane;1,1-difluoro-3-methylcyclopentane;1,4-dimethylpiperazine;2,2-dimethylpropane;1-methoxy-2-methylpropane;2-methylbutane;methylcycloheptane;methylcyclohexane;4-methylcyclohexan-1-ol;4-methylcyclohexan-1-one;6-methyl-1,4-dioxepane;4-methylmorpholine;3-methyloxane;(3R)-3-methyloxane;(3S)-3-methyloxane;4-methyloxane;7-methyl-4-oxaspiro[2.5]octane;3-methyl-1,3-oxazinane;3-methyloxepane;4-methyloxepane;3-methylpentane;1-methylpiperazine;1-methylpiperidine;1-methylpiperidin-4-ol;2-methylpropane;1-methylpyrrolidine;1-methylpyrrolidin-3-ol;6-methylspiro[2.4]heptane;5-methylspiro[2.3]hexane;6-methylspiro[2.5]octane;7-methylspiro[2.5]octane;8-methylspiro[2.5]octane;propane;tris(propan-2-ylcyclopropane);1,1,4-trimethylcyclohexane?
The IUPAC name of butan-2-ylcyclopropane;1-cyclopropylethylcyclopropane;1,1-difluoro-4-methylcyclohexane;1,1-difluoro-3-methylcyclopentane;1,4-dimethylpiperazine;2,2-dimethylpropane;1-methoxy-2-methylpropane;2-methylbutane;methylcycloheptane;methylcyclohexane;4-methylcyclohexan-1-ol;4-methylcyclohexan-1-one;6-methyl-1,4-dioxepane;4-methylmorpholine;3-methyloxane;(3R)-3-methyloxane;(3S)-3-methyloxane;4-methyloxane;7-methyl-4-oxaspiro[2.5]octane;3-methyl-1,3-oxazinane;3-methyloxepane;4-methyloxepane;3-methylpentane;1-methylpiperazine;1-methylpiperidine;1-methylpiperidin-4-ol;2-methylpropane;1-methylpyrrolidine;1-methylpyrrolidin-3-ol;6-methylspiro[2.4]heptane;5-methylspiro[2.3]hexane;6-methylspiro[2.5]octane;7-methylspiro[2.5]octane;8-methylspiro[2.5]octane;propane;tris(propan-2-ylcyclopropane);1,1,4-trimethylcyclohexane (CID 165108316) is butan-2-ylcyclopropane;1-cyclopropylethylcyclopropane;1,1-difluoro-4-methylcyclohexane;1,1-difluoro-3-methylcyclopentane;1,4-dimethylpiperazine;2,2-dimethylpropane;1-methoxy-2-methylpropane;2-methylbutane;methylcycloheptane;methylcyclohexane;4-methylcyclohexan-1-ol;4-methylcyclohexan-1-one;6-methyl-1,4-dioxepane;4-methylmorpholine;3-methyloxane;(3R)-3-methyloxane;(3S)-3-methyloxane;4-methyloxane;7-methyl-4-oxaspiro[2.5]octane;3-methyl-1,3-oxazinane;3-methyloxepane;4-methyloxepane;3-methylpentane;1-methylpiperazine;1-methylpiperidine;1-methylpiperidin-4-ol;2-methylpropane;1-methylpyrrolidine;1-methylpyrrolidin-3-ol;6-methylspiro[2.4]heptane;5-methylspiro[2.3]hexane;6-methylspiro[2.5]octane;7-methylspiro[2.5]octane;8-methylspiro[2.5]octane;propane;tris(propan-2-ylcyclopropane);1,1,4-trimethylcyclohexane.
What is the SMILES notation for butan-2-ylcyclopropane;1-cyclopropylethylcyclopropane;1,1-difluoro-4-methylcyclohexane;1,1-difluoro-3-methylcyclopentane;1,4-dimethylpiperazine;2,2-dimethylpropane;1-methoxy-2-methylpropane;2-methylbutane;methylcycloheptane;methylcyclohexane;4-methylcyclohexan-1-ol;4-methylcyclohexan-1-one;6-methyl-1,4-dioxepane;4-methylmorpholine;3-methyloxane;(3R)-3-methyloxane;(3S)-3-methyloxane;4-methyloxane;7-methyl-4-oxaspiro[2.5]octane;3-methyl-1,3-oxazinane;3-methyloxepane;4-methyloxepane;3-methylpentane;1-methylpiperazine;1-methylpiperidine;1-methylpiperidin-4-ol;2-methylpropane;1-methylpyrrolidine;1-methylpyrrolidin-3-ol;6-methylspiro[2.4]heptane;5-methylspiro[2.3]hexane;6-methylspiro[2.5]octane;7-methylspiro[2.5]octane;8-methylspiro[2.5]octane;propane;tris(propan-2-ylcyclopropane);1,1,4-trimethylcyclohexane?
The canonical SMILES for butan-2-ylcyclopropane;1-cyclopropylethylcyclopropane;1,1-difluoro-4-methylcyclohexane;1,1-difluoro-3-methylcyclopentane;1,4-dimethylpiperazine;2,2-dimethylpropane;1-methoxy-2-methylpropane;2-methylbutane;methylcycloheptane;methylcyclohexane;4-methylcyclohexan-1-ol;4-methylcyclohexan-1-one;6-methyl-1,4-dioxepane;4-methylmorpholine;3-methyloxane;(3R)-3-methyloxane;(3S)-3-methyloxane;4-methyloxane;7-methyl-4-oxaspiro[2.5]octane;3-methyl-1,3-oxazinane;3-methyloxepane;4-methyloxepane;3-methylpentane;1-methylpiperazine;1-methylpiperidine;1-methylpiperidin-4-ol;2-methylpropane;1-methylpyrrolidine;1-methylpyrrolidin-3-ol;6-methylspiro[2.4]heptane;5-methylspiro[2.3]hexane;6-methylspiro[2.5]octane;7-methylspiro[2.5]octane;8-methylspiro[2.5]octane;propane;tris(propan-2-ylcyclopropane);1,1,4-trimethylcyclohexane is CC(C)(C)C.CC(C)C.CC(C)C1CC1.CC(C)C1CC1.CC(C)C1CC1.CC(C1CC1)C1CC1.CC1CC2(CC2)C1.CC1CCC(=O)CC1.CC1CCC(C)(C)CC1.CC1CCC(F)(F)C1.CC1CCC(F)(F)CC1.CC1CCC(O)CC1.CC1CCC2(CC1)CC2.CC1CCC2(CC2)C1.CC1CCCC2(CC2)C1.CC1CCCCC1.CC1CCCCC12CC2.CC1CCCCCC1.CC1CCCCOC1.CC1CCCOC1.CC1CCCOCC1.CC1CCOC2(CC2)C1.CC1CCOCC1.CC1COCCOC1.CCC.CCC(C)C.CCC(C)C1CC1.CCC(C)CC.CN1CCC(O)C1.CN1CCC(O)CC1.CN1CCCC1.CN1CCCCC1.CN1CCCOC1.CN1CCN(C)CC1.CN1CCNCC1.CN1CCOCC1.COCC(C)C.C[C@@H]1CCCOC1.C[C@H]1CCCOC1.
What is the InChIKey of butan-2-ylcyclopropane;1-cyclopropylethylcyclopropane;1,1-difluoro-4-methylcyclohexane;1,1-difluoro-3-methylcyclopentane;1,4-dimethylpiperazine;2,2-dimethylpropane;1-methoxy-2-methylpropane;2-methylbutane;methylcycloheptane;methylcyclohexane;4-methylcyclohexan-1-ol;4-methylcyclohexan-1-one;6-methyl-1,4-dioxepane;4-methylmorpholine;3-methyloxane;(3R)-3-methyloxane;(3S)-3-methyloxane;4-methyloxane;7-methyl-4-oxaspiro[2.5]octane;3-methyl-1,3-oxazinane;3-methyloxepane;4-methyloxepane;3-methylpentane;1-methylpiperazine;1-methylpiperidine;1-methylpiperidin-4-ol;2-methylpropane;1-methylpyrrolidine;1-methylpyrrolidin-3-ol;6-methylspiro[2.4]heptane;5-methylspiro[2.3]hexane;6-methylspiro[2.5]octane;7-methylspiro[2.5]octane;8-methylspiro[2.5]octane;propane;tris(propan-2-ylcyclopropane);1,1,4-trimethylcyclohexane?
The InChIKey is ZNEXHAIOJWOLNL-OZOMRBBMSA-N. The full InChI is InChI=1S/3C9H16.C9H18.C8H14O.2C8H14.C8H16.C7H12F2.C7H14O.C7H12O.2C7H14O.C7H12.2C7H14.C6H10F2.C6H14N2.C6H13NO.C6H13N.C6H12O2.4C6H12O.3C6H12.C6H14.C5H12N2.3C5H11NO.C5H11N.C5H12O.2C5H12.C4H10.C3H8/c1-8-2-4-9(5-3-8)6-7-9;1-8-3-2-4-9(7-8)5-6-9;1-8-4-2-3-5-9(8)6-7-9;1-8-4-6-9(2,3)7-5-8;1-7-2-5-9-8(6-7)3-4-8;1-7-2-3-8(6-7)4-5-8;1-6(7-2-3-7)8-4-5-8;1-8-6-4-2-3-5-7-8;1-6-2-4-7(8,9)5-3-6;2*1-6-2-4-7(8)5-3-6;1-7-3-2-5-8-6-4-7;1-7-4-2-3-5-8-6-7;1-6-4-7(5-6)2-3-7;1-7-5-3-2-4-6-7;1-3-6(2)7-4-5-7;1-5-2-3-6(7,8)4-5;1-7-3-5-8(2)6-4-7;1-7-4-2-6(8)3-5-7;1-7-5-3-2-4-6-7;1-6-4-7-2-3-8-5-6;1-6-2-4-7-5-3-6;3*1-6-3-2-4-7-5-6;3*1-5(2)6-3-4-6;1-4-6(3)5-2;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-6-3-2-5(7)4-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-6;1-5(2)4-6-3;1-5(2,3)4;1-4-5(2)3;1-4(2)3;1-3-2/h3*8H,2-7H2,1H3;8H,4-7H2,1-3H3;7H,2-6H2,1H3;7H,2-6H2,1H3;6-8H,2-5H2,1H3;8H,2-7H2,1H3;6H,2-5H2,1H3;6-8H,2-5H2,1H3;6H,2-5H2,1H3;2*7H,2-6H2,1H3;6H,2-5H2,1H3;7H,2-6H2,1H3;6-7H,3-5H2,1-2H3;5H,2-4H2,1H3;3-6H2,1-2H3;6,8H,2-5H2,1H3;2-6H2,1H3;6H,2-5H2,1H3;4*6H,2-5H2,1H3;3*5-6H,3-4H2,1-2H3;6H,4-5H2,1-3H3;6H,2-5H2,1H3;2-5H2,1H3;5,7H,2-4H2,1H3;2-5H2,1H3;2-5H2,1H3;5H,4H2,1-3H3;1-4H3;5H,4H2,1-3H3;4H,1-3H3;3H2,1-2H3/t;;;;;;;;;;;;;;;;;;;;;;2*6-;;;;;;;;;;;;;;;/m......................10.............../s1.
What are the key properties of butan-2-ylcyclopropane;1-cyclopropylethylcyclopropane;1,1-difluoro-4-methylcyclohexane;1,1-difluoro-3-methylcyclopentane;1,4-dimethylpiperazine;2,2-dimethylpropane;1-methoxy-2-methylpropane;2-methylbutane;methylcycloheptane;methylcyclohexane;4-methylcyclohexan-1-ol;4-methylcyclohexan-1-one;6-methyl-1,4-dioxepane;4-methylmorpholine;3-methyloxane;(3R)-3-methyloxane;(3S)-3-methyloxane;4-methyloxane;7-methyl-4-oxaspiro[2.5]octane;3-methyl-1,3-oxazinane;3-methyloxepane;4-methyloxepane;3-methylpentane;1-methylpiperazine;1-methylpiperidine;1-methylpiperidin-4-ol;2-methylpropane;1-methylpyrrolidine;1-methylpyrrolidin-3-ol;6-methylspiro[2.4]heptane;5-methylspiro[2.3]hexane;6-methylspiro[2.5]octane;7-methylspiro[2.5]octane;8-methylspiro[2.5]octane;propane;tris(propan-2-ylcyclopropane);1,1,4-trimethylcyclohexane?
butan-2-ylcyclopropane;1-cyclopropylethylcyclopropane;1,1-difluoro-4-methylcyclohexane;1,1-difluoro-3-methylcyclopentane;1,4-dimethylpiperazine;2,2-dimethylpropane;1-methoxy-2-methylpropane;2-methylbutane;methylcycloheptane;methylcyclohexane;4-methylcyclohexan-1-ol;4-methylcyclohexan-1-one;6-methyl-1,4-dioxepane;4-methylmorpholine;3-methyloxane;(3R)-3-methyloxane;(3S)-3-methyloxane;4-methyloxane;7-methyl-4-oxaspiro[2.5]octane;3-methyl-1,3-oxazinane;3-methyloxepane;4-methyloxepane;3-methylpentane;1-methylpiperazine;1-methylpiperidine;1-methylpiperidin-4-ol;2-methylpropane;1-methylpyrrolidine;1-methylpyrrolidin-3-ol;6-methylspiro[2.4]heptane;5-methylspiro[2.3]hexane;6-methylspiro[2.5]octane;7-methylspiro[2.5]octane;8-methylspiro[2.5]octane;propane;tris(propan-2-ylcyclopropane);1,1,4-trimethylcyclohexane has a molecular weight of 3966.78 g/mol, XLogP of 66.26, 12 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylcyclopropane;1-cyclopropylethylcyclopropane;1,1-difluoro-4-methylcyclohexane;1,1-difluoro-3-methylcyclopentane;1,4-dimethylpiperazine;2,2-dimethylpropane;1-methoxy-2-methylpropane;2-methylbutane;methylcycloheptane;methylcyclohexane;4-methylcyclohexan-1-ol;4-methylcyclohexan-1-one;6-methyl-1,4-dioxepane;4-methylmorpholine;3-methyloxane;(3R)-3-methyloxane;(3S)-3-methyloxane;4-methyloxane;7-methyl-4-oxaspiro[2.5]octane;3-methyl-1,3-oxazinane;3-methyloxepane;4-methyloxepane;3-methylpentane;1-methylpiperazine;1-methylpiperidine;1-methylpiperidin-4-ol;2-methylpropane;1-methylpyrrolidine;1-methylpyrrolidin-3-ol;6-methylspiro[2.4]heptane;5-methylspiro[2.3]hexane;6-methylspiro[2.5]octane;7-methylspiro[2.5]octane;8-methylspiro[2.5]octane;propane;tris(propan-2-ylcyclopropane);1,1,4-trimethylcyclohexane is sourced from PubChem (CID 165108316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).