ethane;1-methylcyclobutene;3-methylcyclobutene;methylcycloheptane;3-methylcycloheptene;4-methylcycloheptene;5-methylcycloheptene;methylcyclohexane;1-methylcyclohexene;3-methylcyclohexene;4-methylcyclohexene;methylcyclopentane;2-methylcyclopentan-1-one;1-methylcyclopentene;3-methylcyclopentene;4-methylcyclopentene;2-methyl-4,5-dihydro-1H-imidazole;4-methylmorpholine;3-methyloxolane;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2-methyl-1,4,5,6-tetrahydropyrimidine;3-methylthiolane;4-methylthiomorpholine

C193H416N10O3S2 — CID 158509377

IUPACethane;1-methylcyclobutene;3-methylcyclobutene;methylcycloheptane;3-methylcycloheptene;4-methylcycloheptene;5-methylcycloheptene;methylcyclohexane;1-methylcyclohexene;3-methylcyclohexene;4-methylcyclohexene;methylcyclopentane;2-methylcyclopentan-1-one;1-methylcyclopentene;3-methylcyclopentene;4-methylcyclopentene;2-methyl-4,5-dihydro-1H-imidazole;4-methylmorpholine;3-methyloxolane;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2-methyl-1,4,5,6-tetrahydropyrimidine;3-methylthiolane;4-methylthiomorpholine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCC1.CC1=CCCC1.CC1=CCCCC1.CC1=NCCCN1.CC1=NCCN1.CC1C=CC1.CC1C=CCC1.CC1C=CCCC1.CC1C=CCCCC1.CC1CC=CC1.CC1CC=CCC1.CC1CC=CCCC1.CC1CCC=CCC1.CC1CCCC1.CC1CCCC1=O.CC1CCCCC1.CC1CCCCCC1.CC1CCOC1.CC1CCSC1.CN1CCCC1.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1.CN1CCSCC1
InChIInChI=1S/C8H16.3C8H14.C7H14.3C7H12.C6H13N.C6H10O.C6H12.3C6H10.C5H12N2.C5H10N2.C5H11NO.C5H11NS.C5H11N.C5H10O.C5H10S.2C5H8.C4H8N2.24C2H6/c4*1-8-6-4-2-3-5-7-8;5*1-7-5-3-2-4-6-7;1-5-3-2-4-6(5)7;4*1-6-4-2-3-5-6;1-7-4-2-6-3-5-7;1-5-6-3-2-4-7-5;2*1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;2*1-5-2-3-6-4-5;2*1-5-3-2-4-5;1-4-5-2-3-6-4;24*1-2/h8H,2-7H2,1H3;4,6,8H,2-3,5,7H2,1H3;2,4,8H,3,5-7H2,1H3;2-3,8H,4-7H2,1H3;7H,2-6H2,1H3;5H,2-4,6H2,1H3;3,5,7H,2,4,6H2,1H3;2-3,7H,4-6H2,1H3;2-6H2,1H3;5H,2-4H2,1H3;6H,2-5H2,1H3;4H,2-3,5H2,1H3;2,4,6H,3,5H2,1H3;2-3,6H,4-5H2,1H3;6H,2-5H2,1H3;2-4H2,1H3,(H,6,7);2*2-5H2,1H3;2-5H2,1H3;2*5H,2-4H2,1H3;3H,2,4H2,1H3;2-3,5H,4H2,1H3;2-3H2,1H3,(H,5,6);24*1-2H3
InChIKeyHKVZOAPCCNNNEJ-UHFFFAOYSA-N
MW2989.65 g/mol
LogP63.78
Rot. Bonds

About ethane;1-methylcyclobutene;3-methylcyclobutene;methylcycloheptane;3-methylcycloheptene;4-methylcycloheptene;5-methylcycloheptene;methylcyclohexane;1-methylcyclohexene;3-methylcyclohexene;4-methylcyclohexene;methylcyclopentane;2-methylcyclopentan-1-one;1-methylcyclopentene;3-methylcyclopentene;4-methylcyclopentene;2-methyl-4,5-dihydro-1H-imidazole;4-methylmorpholine;3-methyloxolane;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2-methyl-1,4,5,6-tetrahydropyrimidine;3-methylthiolane;4-methylthiomorpholine

ethane;1-methylcyclobutene;3-methylcyclobutene;methylcycloheptane;3-methylcycloheptene;4-methylcycloheptene;5-methylcycloheptene;methylcyclohexane;1-methylcyclohexene;3-methylcyclohexene;4-methylcyclohexene;methylcyclopentane;2-methylcyclopentan-1-one;1-methylcyclopentene;3-methylcyclopentene;4-methylcyclopentene;2-methyl-4,5-dihydro-1H-imidazole;4-methylmorpholine;3-methyloxolane;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2-methyl-1,4,5,6-tetrahydropyrimidine;3-methylthiolane;4-methylthiomorpholine (PubChem CID 158509377) has the molecular formula C193H416N10O3S2 and a molecular weight of 2989.65 g/mol. Its IUPAC name is ethane;1-methylcyclobutene;3-methylcyclobutene;methylcycloheptane;3-methylcycloheptene;4-methylcycloheptene;5-methylcycloheptene;methylcyclohexane;1-methylcyclohexene;3-methylcyclohexene;4-methylcyclohexene;methylcyclopentane;2-methylcyclopentan-1-one;1-methylcyclopentene;3-methylcyclopentene;4-methylcyclopentene;2-methyl-4,5-dihydro-1H-imidazole;4-methylmorpholine;3-methyloxolane;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2-methyl-1,4,5,6-tetrahydropyrimidine;3-methylthiolane;4-methylthiomorpholine.

Molecular Properties

Compound Nameethane;1-methylcyclobutene;3-methylcyclobutene;methylcycloheptane;3-methylcycloheptene;4-methylcycloheptene;5-methylcycloheptene;methylcyclohexane;1-methylcyclohexene;3-methylcyclohexene;4-methylcyclohexene;methylcyclopentane;2-methylcyclopentan-1-one;1-methylcyclopentene;3-methylcyclopentene;4-methylcyclopentene;2-methyl-4,5-dihydro-1H-imidazole;4-methylmorpholine;3-methyloxolane;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2-methyl-1,4,5,6-tetrahydropyrimidine;3-methylthiolane;4-methylthiomorpholine
PubChem CID158509377
Molecular FormulaC193H416N10O3S2
Molecular Weight2989.65 g/mol
Exact Mass2987.21
IUPAC Nameethane;1-methylcyclobutene;3-methylcyclobutene;methylcycloheptane;3-methylcycloheptene;4-methylcycloheptene;5-methylcycloheptene;methylcyclohexane;1-methylcyclohexene;3-methylcyclohexene;4-methylcyclohexene;methylcyclopentane;2-methylcyclopentan-1-one;1-methylcyclopentene;3-methylcyclopentene;4-methylcyclopentene;2-methyl-4,5-dihydro-1H-imidazole;4-methylmorpholine;3-methyloxolane;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2-methyl-1,4,5,6-tetrahydropyrimidine;3-methylthiolane;4-methylthiomorpholine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCC1.CC1=CCCC1.CC1=CCCCC1.CC1=NCCCN1.CC1=NCCN1.CC1C=CC1.CC1C=CCC1.CC1C=CCCC1.CC1C=CCCCC1.CC1CC=CC1.CC1CC=CCC1.CC1CC=CCCC1.CC1CCC=CCC1.CC1CCCC1.CC1CCCC1=O.CC1CCCCC1.CC1CCCCCC1.CC1CCOC1.CC1CCSC1.CN1CCCC1.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1.CN1CCSCC1
InChIInChI=1S/C8H16.3C8H14.C7H14.3C7H12.C6H13N.C6H10O.C6H12.3C6H10.C5H12N2.C5H10N2.C5H11NO.C5H11NS.C5H11N.C5H10O.C5H10S.2C5H8.C4H8N2.24C2H6/c4*1-8-6-4-2-3-5-7-8;5*1-7-5-3-2-4-6-7;1-5-3-2-4-6(5)7;4*1-6-4-2-3-5-6;1-7-4-2-6-3-5-7;1-5-6-3-2-4-7-5;2*1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;2*1-5-2-3-6-4-5;2*1-5-3-2-4-5;1-4-5-2-3-6-4;24*1-2/h8H,2-7H2,1H3;4,6,8H,2-3,5,7H2,1H3;2,4,8H,3,5-7H2,1H3;2-3,8H,4-7H2,1H3;7H,2-6H2,1H3;5H,2-4,6H2,1H3;3,5,7H,2,4,6H2,1H3;2-3,7H,4-6H2,1H3;2-6H2,1H3;5H,2-4H2,1H3;6H,2-5H2,1H3;4H,2-3,5H2,1H3;2,4,6H,3,5H2,1H3;2-3,6H,4-5H2,1H3;6H,2-5H2,1H3;2-4H2,1H3,(H,6,7);2*2-5H2,1H3;2-5H2,1H3;2*5H,2-4H2,1H3;3H,2,4H2,1H3;2-3,5H,4H2,1H3;2-3H2,1H3,(H,5,6);24*1-2H3
InChIKeyHKVZOAPCCNNNEJ-UHFFFAOYSA-N
XLogP63.78
TPSA112.54 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002989.65
LogP ≤ 563.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze ethane;1-methylcyclobutene;3-methylcyclobutene;methylcycloheptane;3-methylcycloheptene;4-methylcycloheptene;5-methylcycloheptene;methylcyclohexane;1-methylcyclohexene;3-methylcyclohexene;4-methylcyclohexene;methylcyclopentane;2-methylcyclopentan-1-one;1-methylcyclopentene;3-methylcyclopentene;4-methylcyclopentene;2-methyl-4,5-dihydro-1H-imidazole;4-methylmorpholine;3-methyloxolane;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2-methyl-1,4,5,6-tetrahydropyrimidine;3-methylthiolane;4-methylthiomorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methylcyclobutene;3-methylcyclobutene;methylcycloheptane;3-methylcycloheptene;4-methylcycloheptene;5-methylcycloheptene;methylcyclohexane;1-methylcyclohexene;3-methylcyclohexene;4-methylcyclohexene;methylcyclopentane;2-methylcyclopentan-1-one;1-methylcyclopentene;3-methylcyclopentene;4-methylcyclopentene;2-methyl-4,5-dihydro-1H-imidazole;4-methylmorpholine;3-methyloxolane;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2-methyl-1,4,5,6-tetrahydropyrimidine;3-methylthiolane;4-methylthiomorpholine?
The IUPAC name of ethane;1-methylcyclobutene;3-methylcyclobutene;methylcycloheptane;3-methylcycloheptene;4-methylcycloheptene;5-methylcycloheptene;methylcyclohexane;1-methylcyclohexene;3-methylcyclohexene;4-methylcyclohexene;methylcyclopentane;2-methylcyclopentan-1-one;1-methylcyclopentene;3-methylcyclopentene;4-methylcyclopentene;2-methyl-4,5-dihydro-1H-imidazole;4-methylmorpholine;3-methyloxolane;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2-methyl-1,4,5,6-tetrahydropyrimidine;3-methylthiolane;4-methylthiomorpholine (CID 158509377) is ethane;1-methylcyclobutene;3-methylcyclobutene;methylcycloheptane;3-methylcycloheptene;4-methylcycloheptene;5-methylcycloheptene;methylcyclohexane;1-methylcyclohexene;3-methylcyclohexene;4-methylcyclohexene;methylcyclopentane;2-methylcyclopentan-1-one;1-methylcyclopentene;3-methylcyclopentene;4-methylcyclopentene;2-methyl-4,5-dihydro-1H-imidazole;4-methylmorpholine;3-methyloxolane;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2-methyl-1,4,5,6-tetrahydropyrimidine;3-methylthiolane;4-methylthiomorpholine.
What is the SMILES notation for ethane;1-methylcyclobutene;3-methylcyclobutene;methylcycloheptane;3-methylcycloheptene;4-methylcycloheptene;5-methylcycloheptene;methylcyclohexane;1-methylcyclohexene;3-methylcyclohexene;4-methylcyclohexene;methylcyclopentane;2-methylcyclopentan-1-one;1-methylcyclopentene;3-methylcyclopentene;4-methylcyclopentene;2-methyl-4,5-dihydro-1H-imidazole;4-methylmorpholine;3-methyloxolane;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2-methyl-1,4,5,6-tetrahydropyrimidine;3-methylthiolane;4-methylthiomorpholine?
The canonical SMILES for ethane;1-methylcyclobutene;3-methylcyclobutene;methylcycloheptane;3-methylcycloheptene;4-methylcycloheptene;5-methylcycloheptene;methylcyclohexane;1-methylcyclohexene;3-methylcyclohexene;4-methylcyclohexene;methylcyclopentane;2-methylcyclopentan-1-one;1-methylcyclopentene;3-methylcyclopentene;4-methylcyclopentene;2-methyl-4,5-dihydro-1H-imidazole;4-methylmorpholine;3-methyloxolane;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2-methyl-1,4,5,6-tetrahydropyrimidine;3-methylthiolane;4-methylthiomorpholine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCC1.CC1=CCCC1.CC1=CCCCC1.CC1=NCCCN1.CC1=NCCN1.CC1C=CC1.CC1C=CCC1.CC1C=CCCC1.CC1C=CCCCC1.CC1CC=CC1.CC1CC=CCC1.CC1CC=CCCC1.CC1CCC=CCC1.CC1CCCC1.CC1CCCC1=O.CC1CCCCC1.CC1CCCCCC1.CC1CCOC1.CC1CCSC1.CN1CCCC1.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1.CN1CCSCC1.
What is the InChIKey of ethane;1-methylcyclobutene;3-methylcyclobutene;methylcycloheptane;3-methylcycloheptene;4-methylcycloheptene;5-methylcycloheptene;methylcyclohexane;1-methylcyclohexene;3-methylcyclohexene;4-methylcyclohexene;methylcyclopentane;2-methylcyclopentan-1-one;1-methylcyclopentene;3-methylcyclopentene;4-methylcyclopentene;2-methyl-4,5-dihydro-1H-imidazole;4-methylmorpholine;3-methyloxolane;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2-methyl-1,4,5,6-tetrahydropyrimidine;3-methylthiolane;4-methylthiomorpholine?
The InChIKey is HKVZOAPCCNNNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.3C8H14.C7H14.3C7H12.C6H13N.C6H10O.C6H12.3C6H10.C5H12N2.C5H10N2.C5H11NO.C5H11NS.C5H11N.C5H10O.C5H10S.2C5H8.C4H8N2.24C2H6/c4*1-8-6-4-2-3-5-7-8;5*1-7-5-3-2-4-6-7;1-5-3-2-4-6(5)7;4*1-6-4-2-3-5-6;1-7-4-2-6-3-5-7;1-5-6-3-2-4-7-5;2*1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;2*1-5-2-3-6-4-5;2*1-5-3-2-4-5;1-4-5-2-3-6-4;24*1-2/h8H,2-7H2,1H3;4,6,8H,2-3,5,7H2,1H3;2,4,8H,3,5-7H2,1H3;2-3,8H,4-7H2,1H3;7H,2-6H2,1H3;5H,2-4,6H2,1H3;3,5,7H,2,4,6H2,1H3;2-3,7H,4-6H2,1H3;2-6H2,1H3;5H,2-4H2,1H3;6H,2-5H2,1H3;4H,2-3,5H2,1H3;2,4,6H,3,5H2,1H3;2-3,6H,4-5H2,1H3;6H,2-5H2,1H3;2-4H2,1H3,(H,6,7);2*2-5H2,1H3;2-5H2,1H3;2*5H,2-4H2,1H3;3H,2,4H2,1H3;2-3,5H,4H2,1H3;2-3H2,1H3,(H,5,6);24*1-2H3.
What are the key properties of ethane;1-methylcyclobutene;3-methylcyclobutene;methylcycloheptane;3-methylcycloheptene;4-methylcycloheptene;5-methylcycloheptene;methylcyclohexane;1-methylcyclohexene;3-methylcyclohexene;4-methylcyclohexene;methylcyclopentane;2-methylcyclopentan-1-one;1-methylcyclopentene;3-methylcyclopentene;4-methylcyclopentene;2-methyl-4,5-dihydro-1H-imidazole;4-methylmorpholine;3-methyloxolane;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2-methyl-1,4,5,6-tetrahydropyrimidine;3-methylthiolane;4-methylthiomorpholine?
ethane;1-methylcyclobutene;3-methylcyclobutene;methylcycloheptane;3-methylcycloheptene;4-methylcycloheptene;5-methylcycloheptene;methylcyclohexane;1-methylcyclohexene;3-methylcyclohexene;4-methylcyclohexene;methylcyclopentane;2-methylcyclopentan-1-one;1-methylcyclopentene;3-methylcyclopentene;4-methylcyclopentene;2-methyl-4,5-dihydro-1H-imidazole;4-methylmorpholine;3-methyloxolane;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2-methyl-1,4,5,6-tetrahydropyrimidine;3-methylthiolane;4-methylthiomorpholine has a molecular weight of 2989.65 g/mol, XLogP of 63.78, 0 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylcyclobutene;3-methylcyclobutene;methylcycloheptane;3-methylcycloheptene;4-methylcycloheptene;5-methylcycloheptene;methylcyclohexane;1-methylcyclohexene;3-methylcyclohexene;4-methylcyclohexene;methylcyclopentane;2-methylcyclopentan-1-one;1-methylcyclopentene;3-methylcyclopentene;4-methylcyclopentene;2-methyl-4,5-dihydro-1H-imidazole;4-methylmorpholine;3-methyloxolane;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2-methyl-1,4,5,6-tetrahydropyrimidine;3-methylthiolane;4-methylthiomorpholine is sourced from PubChem (CID 158509377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).