butane;ethane;ethylbenzene;ethylcyclobutane;ethylcyclopropane;methane;1-methoxypropane;2-methylbutane;methylcyclopropane;2-methylpropane;propane;1-propylpiperidine

C56H123NO — CID 159085917

IUPACbutane;ethane;ethylbenzene;ethylcyclobutane;ethylcyclopropane;methane;1-methoxypropane;2-methylbutane;methylcyclopropane;2-methylpropane;propane;1-propylpiperidine
SMILESC.CC.CC.CC(C)C.CC1CC1.CCC.CCC(C)C.CCC1CC1.CCC1CCC1.CCCC.CCCN1CCCCC1.CCCOC.CCc1ccccc1
InChIInChI=1S/C8H17N.C8H10.C6H12.C5H10.C5H12.C4H10O.C4H8.2C4H10.C3H8.2C2H6.CH4/c1-2-6-9-7-4-3-5-8-9;1-2-8-6-4-3-5-7-8;1-2-6-4-3-5-6;1-2-5-3-4-5;1-4-5(2)3;1-3-4-5-2;1-4-2-3-4;1-4(2)3;1-3-4-2;1-3-2;2*1-2;/h2-8H2,1H3;3-7H,2H2,1H3;6H,2-5H2,1H3;5H,2-4H2,1H3;5H,4H2,1-3H3;3-4H2,1-2H3;4H,2-3H2,1H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;2*1-2H3;1H4
InChIKeyKBLDYBSXHQJSOZ-UHFFFAOYSA-N
MW826.61 g/mol
LogP20.22
Rot. Bonds9

About butane;ethane;ethylbenzene;ethylcyclobutane;ethylcyclopropane;methane;1-methoxypropane;2-methylbutane;methylcyclopropane;2-methylpropane;propane;1-propylpiperidine

butane;ethane;ethylbenzene;ethylcyclobutane;ethylcyclopropane;methane;1-methoxypropane;2-methylbutane;methylcyclopropane;2-methylpropane;propane;1-propylpiperidine (PubChem CID 159085917) has the molecular formula C56H123NO and a molecular weight of 826.61 g/mol. Its IUPAC name is butane;ethane;ethylbenzene;ethylcyclobutane;ethylcyclopropane;methane;1-methoxypropane;2-methylbutane;methylcyclopropane;2-methylpropane;propane;1-propylpiperidine.

Molecular Properties

Compound Namebutane;ethane;ethylbenzene;ethylcyclobutane;ethylcyclopropane;methane;1-methoxypropane;2-methylbutane;methylcyclopropane;2-methylpropane;propane;1-propylpiperidine
PubChem CID159085917
Molecular FormulaC56H123NO
Molecular Weight826.61 g/mol
Exact Mass825.96
IUPAC Namebutane;ethane;ethylbenzene;ethylcyclobutane;ethylcyclopropane;methane;1-methoxypropane;2-methylbutane;methylcyclopropane;2-methylpropane;propane;1-propylpiperidine
SMILESC.CC.CC.CC(C)C.CC1CC1.CCC.CCC(C)C.CCC1CC1.CCC1CCC1.CCCC.CCCN1CCCCC1.CCCOC.CCc1ccccc1
InChIInChI=1S/C8H17N.C8H10.C6H12.C5H10.C5H12.C4H10O.C4H8.2C4H10.C3H8.2C2H6.CH4/c1-2-6-9-7-4-3-5-8-9;1-2-8-6-4-3-5-7-8;1-2-6-4-3-5-6;1-2-5-3-4-5;1-4-5(2)3;1-3-4-5-2;1-4-2-3-4;1-4(2)3;1-3-4-2;1-3-2;2*1-2;/h2-8H2,1H3;3-7H,2H2,1H3;6H,2-5H2,1H3;5H,2-4H2,1H3;5H,4H2,1-3H3;3-4H2,1-2H3;4H,2-3H2,1H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;2*1-2H3;1H4
InChIKeyKBLDYBSXHQJSOZ-UHFFFAOYSA-N
XLogP20.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.61
LogP ≤ 520.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze butane;ethane;ethylbenzene;ethylcyclobutane;ethylcyclopropane;methane;1-methoxypropane;2-methylbutane;methylcyclopropane;2-methylpropane;propane;1-propylpiperidine with MolForge

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Related Compounds

1,1'-biphenyl;ethane;ethylbenzene;ethylcyclohexane;propane
CID 160751145
butane;2-methylbutane;1-propylpyrrolidine
CID 161374210
ethylbenzene;methylcyclobutane
CID 176989756
ethylbenzene;ethylcyclobutane;formic acid
CID 174407039
ethylbenzene;ethylcyclohexane;2-methylpentane;pentane;propane;propylbenzene;propylcyclohexane
CID 161464946
cyclohexane;cyclopentane;ethylcyclopropane;methanol;2-methylbutane;methylcyclobutane;methylcyclopentane;methylcyclopropane
CID 174801862
4-benzyl-1-[[(1R)-4-ethylcyclooctyl]methyl]piperidine
CID 142080658
ethane;4-ethyl-1-(2-methoxyethyl)piperidine
CID 177021605
butane;2,2-dimethylpropane;ethane;heptane;methane;bis(2-methylbutane);methylcyclohexane;2-methylpropane;pentane;propane;toluene
CID 158721160
azane;ethane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);2-methylpropane;1-piperidin-1-ylethanone;propan-2-ol
CID 159896332
azane;ethane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);2-methylpropane;1-piperidin-1-ylethanone;propan-2-ol
CID 158089659
butane;2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;2,2-dimethylpropane;ethane;ethylcyclobutane;ethylcyclopropane;methane;bis(2-methylbutane);methylcyclobutane;methylcyclopentane;methylcyclopropane;2-methylpropane;pentane;propane
CID 162066878

Frequently Asked Questions

What is the IUPAC name of butane;ethane;ethylbenzene;ethylcyclobutane;ethylcyclopropane;methane;1-methoxypropane;2-methylbutane;methylcyclopropane;2-methylpropane;propane;1-propylpiperidine?
The IUPAC name of butane;ethane;ethylbenzene;ethylcyclobutane;ethylcyclopropane;methane;1-methoxypropane;2-methylbutane;methylcyclopropane;2-methylpropane;propane;1-propylpiperidine (CID 159085917) is butane;ethane;ethylbenzene;ethylcyclobutane;ethylcyclopropane;methane;1-methoxypropane;2-methylbutane;methylcyclopropane;2-methylpropane;propane;1-propylpiperidine.
What is the SMILES notation for butane;ethane;ethylbenzene;ethylcyclobutane;ethylcyclopropane;methane;1-methoxypropane;2-methylbutane;methylcyclopropane;2-methylpropane;propane;1-propylpiperidine?
The canonical SMILES for butane;ethane;ethylbenzene;ethylcyclobutane;ethylcyclopropane;methane;1-methoxypropane;2-methylbutane;methylcyclopropane;2-methylpropane;propane;1-propylpiperidine is C.CC.CC.CC(C)C.CC1CC1.CCC.CCC(C)C.CCC1CC1.CCC1CCC1.CCCC.CCCN1CCCCC1.CCCOC.CCc1ccccc1.
What is the InChIKey of butane;ethane;ethylbenzene;ethylcyclobutane;ethylcyclopropane;methane;1-methoxypropane;2-methylbutane;methylcyclopropane;2-methylpropane;propane;1-propylpiperidine?
The InChIKey is KBLDYBSXHQJSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C8H10.C6H12.C5H10.C5H12.C4H10O.C4H8.2C4H10.C3H8.2C2H6.CH4/c1-2-6-9-7-4-3-5-8-9;1-2-8-6-4-3-5-7-8;1-2-6-4-3-5-6;1-2-5-3-4-5;1-4-5(2)3;1-3-4-5-2;1-4-2-3-4;1-4(2)3;1-3-4-2;1-3-2;2*1-2;/h2-8H2,1H3;3-7H,2H2,1H3;6H,2-5H2,1H3;5H,2-4H2,1H3;5H,4H2,1-3H3;3-4H2,1-2H3;4H,2-3H2,1H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;2*1-2H3;1H4.
What are the key properties of butane;ethane;ethylbenzene;ethylcyclobutane;ethylcyclopropane;methane;1-methoxypropane;2-methylbutane;methylcyclopropane;2-methylpropane;propane;1-propylpiperidine?
butane;ethane;ethylbenzene;ethylcyclobutane;ethylcyclopropane;methane;1-methoxypropane;2-methylbutane;methylcyclopropane;2-methylpropane;propane;1-propylpiperidine has a molecular weight of 826.61 g/mol, XLogP of 20.22, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;ethylbenzene;ethylcyclobutane;ethylcyclopropane;methane;1-methoxypropane;2-methylbutane;methylcyclopropane;2-methylpropane;propane;1-propylpiperidine is sourced from PubChem (CID 159085917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).