cumene;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine

C119H203N3O2 — CID 159276692

IUPACcumene;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine
SMILESCC.CC.CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccco1.CC(C)c1ccn(C)n1.CC(C)c1ccoc1.CCC1CC1.CCC1CCCC1.CCc1ccccc1
InChIInChI=1S/2C9H18.3C9H12.C8H11N.C8H16.C8H10.C7H12N2.2C7H10O.2C7H14.C6H12.C5H10.2C2H6/c5*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-7(2)8-5-3-4-6-8;1-2-8-6-4-3-5-7-8;1-6(2)7-4-5-9(3)8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-4-3-5-7;1-2-7-5-3-4-6-7;1-5(2)6-3-4-6;1-2-5-3-4-5;2*1-2/h2*8-9H,3-7H2,1-2H3;3*3-8H,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;3-7H,2H2,1H3;4-6H,1-3H3;2*3-6H,1-2H3;6-7H,3-5H2,1-2H3;7H,2-6H2,1H3;5-6H,3-4H2,1-2H3;5H,2-4H2,1H3;2*1-2H3
InChIKeyKYJYOOXHIVOSMD-UHFFFAOYSA-N
MW1707.95 g/mol
LogP39.45
Rot. Bonds15

About cumene;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine

cumene;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine (PubChem CID 159276692) has the molecular formula C119H203N3O2 and a molecular weight of 1707.95 g/mol. Its IUPAC name is cumene;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine.

Molecular Properties

Compound Namecumene;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine
PubChem CID159276692
Molecular FormulaC119H203N3O2
Molecular Weight1707.95 g/mol
Exact Mass1706.59
IUPAC Namecumene;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine
SMILESCC.CC.CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccco1.CC(C)c1ccn(C)n1.CC(C)c1ccoc1.CCC1CC1.CCC1CCCC1.CCc1ccccc1
InChIInChI=1S/2C9H18.3C9H12.C8H11N.C8H16.C8H10.C7H12N2.2C7H10O.2C7H14.C6H12.C5H10.2C2H6/c5*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-7(2)8-5-3-4-6-8;1-2-8-6-4-3-5-7-8;1-6(2)7-4-5-9(3)8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-4-3-5-7;1-2-7-5-3-4-6-7;1-5(2)6-3-4-6;1-2-5-3-4-5;2*1-2/h2*8-9H,3-7H2,1-2H3;3*3-8H,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;3-7H,2H2,1H3;4-6H,1-3H3;2*3-6H,1-2H3;6-7H,3-5H2,1-2H3;7H,2-6H2,1H3;5-6H,3-4H2,1-2H3;5H,2-4H2,1H3;2*1-2H3
InChIKeyKYJYOOXHIVOSMD-UHFFFAOYSA-N
XLogP39.45
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001707.95
LogP ≤ 539.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cumene;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine with MolForge

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Related Compounds

5-(2-furyl)-1',2-diphenyl-3'-(3-pyridinyl)-3,4-dihydro-1'H,2H-3,4'-bipyrazole
CID 2875997
ethane;1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-ylfuran;3-propan-2-yloxolane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 157463734
bis(tert-butylbenzene);4-tert-butyl-3-cyclopropyl-2H-pyrrole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine
CID 157480971
Cumene;2-methylpropane;2-propan-2-ylfuran;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;pyridine
CID 157768641
Cumene;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-ylpyridine
CID 157977783
3-bromo-5-tert-butylpyridine;bis(tert-butylbenzene);4-tert-butyl-3-cyclopropyl-2H-pyrrole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine
CID 158080771
Cumene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;methanidylcyclopentane;methanidylcyclopropane;5-methylidenecyclohexa-1,3-diene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-ylpyridine
CID 158159482
bis(tert-butylbenzene);4-tert-butyl-3-cyclopropyl-2H-pyrrole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;1-cyclobutyl-3,3-dimethylbutan-2-one;1-cyclohexyl-4,4-dimethylpentan-3-one;5-cyclopropyl-2,2-dimethylhexan-3-one;1-cyclopropyl-4,4-dimethylpentan-3-one;2,2-dimethylhexan-3-one;bis(3,3-dimethyl-1-(4-methylcyclohexyl)butan-2-one);1-[(3S)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-fluoropyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 158427065
methane;N-methyl-N-(4-propan-2-ylphenyl)acetamide;1-methyl-3-(3-propan-2-ylphenyl)pyrazole;2-(3-propan-2-ylphenyl)furan;1-(4-propan-2-ylphenyl)pyrazole
CID 158438162
1,3-Dimethyl-4-propan-2-ylpyrazole;ethane;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-propan-2-ylazetidine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-ylmorpholine;propan-2-yloxybenzene;propan-2-yloxycyclopropane
CID 158454310
Bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;5-methyl-1-phenyl-4-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine
CID 158505683
1-Chloro-2-(3-methylbutyl)benzene;2-(3-methylbutyl)furan;2-(3-methylbutyl)pyridine;3-(3-methylbutyl)pyridine;pentakis(1-methyl-3-(3-methylbutyl)benzene);1-methyl-3-(3-methylbutyl)pyrazole
CID 158513293

Frequently Asked Questions

What is the IUPAC name of cumene;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine?
The IUPAC name of cumene;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine (CID 159276692) is cumene;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine.
What is the SMILES notation for cumene;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine?
The canonical SMILES for cumene;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine is CC.CC.CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccco1.CC(C)c1ccn(C)n1.CC(C)c1ccoc1.CCC1CC1.CCC1CCCC1.CCc1ccccc1.
What is the InChIKey of cumene;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine?
The InChIKey is KYJYOOXHIVOSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18.3C9H12.C8H11N.C8H16.C8H10.C7H12N2.2C7H10O.2C7H14.C6H12.C5H10.2C2H6/c5*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-7(2)8-5-3-4-6-8;1-2-8-6-4-3-5-7-8;1-6(2)7-4-5-9(3)8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-4-3-5-7;1-2-7-5-3-4-6-7;1-5(2)6-3-4-6;1-2-5-3-4-5;2*1-2/h2*8-9H,3-7H2,1-2H3;3*3-8H,1-2H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;3-7H,2H2,1H3;4-6H,1-3H3;2*3-6H,1-2H3;6-7H,3-5H2,1-2H3;7H,2-6H2,1H3;5-6H,3-4H2,1-2H3;5H,2-4H2,1H3;2*1-2H3.
What are the key properties of cumene;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine?
cumene;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine has a molecular weight of 1707.95 g/mol, XLogP of 39.45, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;ethane;ethylbenzene;ethylcyclopentane;ethylcyclopropane;1-methyl-3-propan-2-ylpyrazole;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine is sourced from PubChem (CID 159276692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).