2,4-dimethylpentane;2,5-dimethyl-3-propan-2-ylfuran;1-fluoro-4-propan-2-ylbenzene;3-methylbutylbenzene;1-methyl-2-propan-2-ylpyrrole;propan-2-ylcyclohexane;2-propan-2-ylfuran;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;4-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;2,2,3-trimethylbutane

C95H165FN4O3S2 — CID 159029180

IUPAC2,4-dimethylpentane;2,5-dimethyl-3-propan-2-ylfuran;1-fluoro-4-propan-2-ylbenzene;3-methylbutylbenzene;1-methyl-2-propan-2-ylpyrrole;propan-2-ylcyclohexane;2-propan-2-ylfuran;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;4-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;2,2,3-trimethylbutane
SMILESCC(C)C(C)(C)C.CC(C)C1CCCCC1.CC(C)CC(C)C.CC(C)CCc1ccccc1.CC(C)N1CCCCC1.CC(C)N1CCOCC1.CC(C)c1ccc(F)cc1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1ccsc1.CC(C)c1cscn1.Cc1cc(C(C)C)c(C)o1
InChIInChI=1S/C11H16.C9H11F.C9H14O.C9H18.C8H13N.C8H17N.C7H15NO.C7H10O.C7H10S.2C7H16.C6H9NS/c1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)8-3-5-9(10)6-4-8;1-6(2)9-5-7(3)10-8(9)4;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-4-6-9(8)3;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7(3,4)5;1-6(2)5-7(3)4;1-5(2)6-3-8-4-7-6/h3-7,10H,8-9H2,1-2H3;3-7H,1-2H3;5-6H,1-4H3;8-9H,3-7H2,1-2H3;4-7H,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;2*3-6H,1-2H3;6H,1-5H3;6-7H,5H2,1-4H3;3-5H,1-2H3
InChIKeyJUQURCJQFFRTOH-UHFFFAOYSA-N
MW1494.52 g/mol
LogP30.14
Rot. Bonds14

About 2,4-dimethylpentane;2,5-dimethyl-3-propan-2-ylfuran;1-fluoro-4-propan-2-ylbenzene;3-methylbutylbenzene;1-methyl-2-propan-2-ylpyrrole;propan-2-ylcyclohexane;2-propan-2-ylfuran;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;4-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;2,2,3-trimethylbutane

2,4-dimethylpentane;2,5-dimethyl-3-propan-2-ylfuran;1-fluoro-4-propan-2-ylbenzene;3-methylbutylbenzene;1-methyl-2-propan-2-ylpyrrole;propan-2-ylcyclohexane;2-propan-2-ylfuran;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;4-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;2,2,3-trimethylbutane (PubChem CID 159029180) has the molecular formula C95H165FN4O3S2 and a molecular weight of 1494.52 g/mol. Its IUPAC name is 2,4-dimethylpentane;2,5-dimethyl-3-propan-2-ylfuran;1-fluoro-4-propan-2-ylbenzene;3-methylbutylbenzene;1-methyl-2-propan-2-ylpyrrole;propan-2-ylcyclohexane;2-propan-2-ylfuran;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;4-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;2,2,3-trimethylbutane.

Molecular Properties

Compound Name2,4-dimethylpentane;2,5-dimethyl-3-propan-2-ylfuran;1-fluoro-4-propan-2-ylbenzene;3-methylbutylbenzene;1-methyl-2-propan-2-ylpyrrole;propan-2-ylcyclohexane;2-propan-2-ylfuran;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;4-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;2,2,3-trimethylbutane
PubChem CID159029180
Molecular FormulaC95H165FN4O3S2
Molecular Weight1494.52 g/mol
Exact Mass1493.23
IUPAC Name2,4-dimethylpentane;2,5-dimethyl-3-propan-2-ylfuran;1-fluoro-4-propan-2-ylbenzene;3-methylbutylbenzene;1-methyl-2-propan-2-ylpyrrole;propan-2-ylcyclohexane;2-propan-2-ylfuran;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;4-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;2,2,3-trimethylbutane
SMILESCC(C)C(C)(C)C.CC(C)C1CCCCC1.CC(C)CC(C)C.CC(C)CCc1ccccc1.CC(C)N1CCCCC1.CC(C)N1CCOCC1.CC(C)c1ccc(F)cc1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1ccsc1.CC(C)c1cscn1.Cc1cc(C(C)C)c(C)o1
InChIInChI=1S/C11H16.C9H11F.C9H14O.C9H18.C8H13N.C8H17N.C7H15NO.C7H10O.C7H10S.2C7H16.C6H9NS/c1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)8-3-5-9(10)6-4-8;1-6(2)9-5-7(3)10-8(9)4;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-4-6-9(8)3;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7(3,4)5;1-6(2)5-7(3)4;1-5(2)6-3-8-4-7-6/h3-7,10H,8-9H2,1-2H3;3-7H,1-2H3;5-6H,1-4H3;8-9H,3-7H2,1-2H3;4-7H,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;2*3-6H,1-2H3;6H,1-5H3;6-7H,5H2,1-4H3;3-5H,1-2H3
InChIKeyJUQURCJQFFRTOH-UHFFFAOYSA-N
XLogP30.14
TPSA59.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001494.52
LogP ≤ 530.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2,4-dimethylpentane;2,5-dimethyl-3-propan-2-ylfuran;1-fluoro-4-propan-2-ylbenzene;3-methylbutylbenzene;1-methyl-2-propan-2-ylpyrrole;propan-2-ylcyclohexane;2-propan-2-ylfuran;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;4-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;2,2,3-trimethylbutane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentane;2,5-dimethyl-3-propan-2-ylfuran;1-fluoro-4-propan-2-ylbenzene;3-methylbutylbenzene;1-methyl-2-propan-2-ylpyrrole;propan-2-ylcyclohexane;2-propan-2-ylfuran;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;4-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;2,2,3-trimethylbutane?
The IUPAC name of 2,4-dimethylpentane;2,5-dimethyl-3-propan-2-ylfuran;1-fluoro-4-propan-2-ylbenzene;3-methylbutylbenzene;1-methyl-2-propan-2-ylpyrrole;propan-2-ylcyclohexane;2-propan-2-ylfuran;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;4-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;2,2,3-trimethylbutane (CID 159029180) is 2,4-dimethylpentane;2,5-dimethyl-3-propan-2-ylfuran;1-fluoro-4-propan-2-ylbenzene;3-methylbutylbenzene;1-methyl-2-propan-2-ylpyrrole;propan-2-ylcyclohexane;2-propan-2-ylfuran;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;4-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;2,2,3-trimethylbutane.
What is the SMILES notation for 2,4-dimethylpentane;2,5-dimethyl-3-propan-2-ylfuran;1-fluoro-4-propan-2-ylbenzene;3-methylbutylbenzene;1-methyl-2-propan-2-ylpyrrole;propan-2-ylcyclohexane;2-propan-2-ylfuran;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;4-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;2,2,3-trimethylbutane?
The canonical SMILES for 2,4-dimethylpentane;2,5-dimethyl-3-propan-2-ylfuran;1-fluoro-4-propan-2-ylbenzene;3-methylbutylbenzene;1-methyl-2-propan-2-ylpyrrole;propan-2-ylcyclohexane;2-propan-2-ylfuran;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;4-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;2,2,3-trimethylbutane is CC(C)C(C)(C)C.CC(C)C1CCCCC1.CC(C)CC(C)C.CC(C)CCc1ccccc1.CC(C)N1CCCCC1.CC(C)N1CCOCC1.CC(C)c1ccc(F)cc1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1ccsc1.CC(C)c1cscn1.Cc1cc(C(C)C)c(C)o1.
What is the InChIKey of 2,4-dimethylpentane;2,5-dimethyl-3-propan-2-ylfuran;1-fluoro-4-propan-2-ylbenzene;3-methylbutylbenzene;1-methyl-2-propan-2-ylpyrrole;propan-2-ylcyclohexane;2-propan-2-ylfuran;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;4-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;2,2,3-trimethylbutane?
The InChIKey is JUQURCJQFFRTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C9H11F.C9H14O.C9H18.C8H13N.C8H17N.C7H15NO.C7H10O.C7H10S.2C7H16.C6H9NS/c1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)8-3-5-9(10)6-4-8;1-6(2)9-5-7(3)10-8(9)4;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-4-6-9(8)3;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7(3,4)5;1-6(2)5-7(3)4;1-5(2)6-3-8-4-7-6/h3-7,10H,8-9H2,1-2H3;3-7H,1-2H3;5-6H,1-4H3;8-9H,3-7H2,1-2H3;4-7H,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;2*3-6H,1-2H3;6H,1-5H3;6-7H,5H2,1-4H3;3-5H,1-2H3.
What are the key properties of 2,4-dimethylpentane;2,5-dimethyl-3-propan-2-ylfuran;1-fluoro-4-propan-2-ylbenzene;3-methylbutylbenzene;1-methyl-2-propan-2-ylpyrrole;propan-2-ylcyclohexane;2-propan-2-ylfuran;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;4-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;2,2,3-trimethylbutane?
2,4-dimethylpentane;2,5-dimethyl-3-propan-2-ylfuran;1-fluoro-4-propan-2-ylbenzene;3-methylbutylbenzene;1-methyl-2-propan-2-ylpyrrole;propan-2-ylcyclohexane;2-propan-2-ylfuran;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;4-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;2,2,3-trimethylbutane has a molecular weight of 1494.52 g/mol, XLogP of 30.14, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentane;2,5-dimethyl-3-propan-2-ylfuran;1-fluoro-4-propan-2-ylbenzene;3-methylbutylbenzene;1-methyl-2-propan-2-ylpyrrole;propan-2-ylcyclohexane;2-propan-2-ylfuran;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;4-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;2,2,3-trimethylbutane is sourced from PubChem (CID 159029180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).