methane;methylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;pentakis(1-methylpiperidine);1-methylpyrrolidine;5-methylpyrrolidine-2,4-dione;3-methyl-1,3-thiazolidine-2,4-dione

C67H144N8O7S — CID 159396415

IUPACmethane;methylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;pentakis(1-methylpiperidine);1-methylpyrrolidine;5-methylpyrrolidine-2,4-dione;3-methyl-1,3-thiazolidine-2,4-dione
SMILESC.C.C.C.C.CC1CCCCC1.CC1CCCCO1.CC1COCCO1.CC1NC(=O)CC1=O.CN1C(=O)CSC1=O.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1
InChIInChI=1S/C7H14.5C6H13N.C6H12O.C5H7NO2.C5H11N.C5H10O2.C4H5NO2S.5CH4/c6*1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-3-4(7)2-5(8)6-3;1-6-4-2-3-5-6;1-5-4-6-2-3-7-5;1-5-3(6)2-8-4(5)7;;;;;/h7H,2-6H2,1H3;5*2-6H2,1H3;6H,2-5H2,1H3;3H,2H2,1H3,(H,6,8);2-5H2,1H3;5H,2-4H2,1H3;2H2,1H3;5*1H4
InChIKeyLMTUZHBMFHRLLK-UHFFFAOYSA-N
MW1206.00 g/mol
LogP13.76
Rot. Bonds

About methane;methylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;pentakis(1-methylpiperidine);1-methylpyrrolidine;5-methylpyrrolidine-2,4-dione;3-methyl-1,3-thiazolidine-2,4-dione

methane;methylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;pentakis(1-methylpiperidine);1-methylpyrrolidine;5-methylpyrrolidine-2,4-dione;3-methyl-1,3-thiazolidine-2,4-dione (PubChem CID 159396415) has the molecular formula C67H144N8O7S and a molecular weight of 1206.00 g/mol. Its IUPAC name is methane;methylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;pentakis(1-methylpiperidine);1-methylpyrrolidine;5-methylpyrrolidine-2,4-dione;3-methyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Namemethane;methylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;pentakis(1-methylpiperidine);1-methylpyrrolidine;5-methylpyrrolidine-2,4-dione;3-methyl-1,3-thiazolidine-2,4-dione
PubChem CID159396415
Molecular FormulaC67H144N8O7S
Molecular Weight1206.00 g/mol
Exact Mass1205.09
IUPAC Namemethane;methylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;pentakis(1-methylpiperidine);1-methylpyrrolidine;5-methylpyrrolidine-2,4-dione;3-methyl-1,3-thiazolidine-2,4-dione
SMILESC.C.C.C.C.CC1CCCCC1.CC1CCCCO1.CC1COCCO1.CC1NC(=O)CC1=O.CN1C(=O)CSC1=O.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1
InChIInChI=1S/C7H14.5C6H13N.C6H12O.C5H7NO2.C5H11N.C5H10O2.C4H5NO2S.5CH4/c6*1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-3-4(7)2-5(8)6-3;1-6-4-2-3-5-6;1-5-4-6-2-3-7-5;1-5-3(6)2-8-4(5)7;;;;;/h7H,2-6H2,1H3;5*2-6H2,1H3;6H,2-5H2,1H3;3H,2H2,1H3,(H,6,8);2-5H2,1H3;5H,2-4H2,1H3;2H2,1H3;5*1H4
InChIKeyLMTUZHBMFHRLLK-UHFFFAOYSA-N
XLogP13.76
TPSA130.68 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001206.00
LogP ≤ 513.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze methane;methylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;pentakis(1-methylpiperidine);1-methylpyrrolidine;5-methylpyrrolidine-2,4-dione;3-methyl-1,3-thiazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;methylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;pentakis(1-methylpiperidine);1-methylpyrrolidine;5-methylpyrrolidine-2,4-dione;3-methyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of methane;methylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;pentakis(1-methylpiperidine);1-methylpyrrolidine;5-methylpyrrolidine-2,4-dione;3-methyl-1,3-thiazolidine-2,4-dione (CID 159396415) is methane;methylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;pentakis(1-methylpiperidine);1-methylpyrrolidine;5-methylpyrrolidine-2,4-dione;3-methyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for methane;methylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;pentakis(1-methylpiperidine);1-methylpyrrolidine;5-methylpyrrolidine-2,4-dione;3-methyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for methane;methylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;pentakis(1-methylpiperidine);1-methylpyrrolidine;5-methylpyrrolidine-2,4-dione;3-methyl-1,3-thiazolidine-2,4-dione is C.C.C.C.C.CC1CCCCC1.CC1CCCCO1.CC1COCCO1.CC1NC(=O)CC1=O.CN1C(=O)CSC1=O.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.
What is the InChIKey of methane;methylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;pentakis(1-methylpiperidine);1-methylpyrrolidine;5-methylpyrrolidine-2,4-dione;3-methyl-1,3-thiazolidine-2,4-dione?
The InChIKey is LMTUZHBMFHRLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.5C6H13N.C6H12O.C5H7NO2.C5H11N.C5H10O2.C4H5NO2S.5CH4/c6*1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-3-4(7)2-5(8)6-3;1-6-4-2-3-5-6;1-5-4-6-2-3-7-5;1-5-3(6)2-8-4(5)7;;;;;/h7H,2-6H2,1H3;5*2-6H2,1H3;6H,2-5H2,1H3;3H,2H2,1H3,(H,6,8);2-5H2,1H3;5H,2-4H2,1H3;2H2,1H3;5*1H4.
What are the key properties of methane;methylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;pentakis(1-methylpiperidine);1-methylpyrrolidine;5-methylpyrrolidine-2,4-dione;3-methyl-1,3-thiazolidine-2,4-dione?
methane;methylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;pentakis(1-methylpiperidine);1-methylpyrrolidine;5-methylpyrrolidine-2,4-dione;3-methyl-1,3-thiazolidine-2,4-dione has a molecular weight of 1206.00 g/mol, XLogP of 13.76, 0 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;pentakis(1-methylpiperidine);1-methylpyrrolidine;5-methylpyrrolidine-2,4-dione;3-methyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 159396415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).