2,5-dimethylhexane;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylcyclopropane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,2,5-trimethylhexane

C126H209F5N2 — CID 160838269

IUPAC2,5-dimethylhexane;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylcyclopropane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,2,5-trimethylhexane
SMILESCC(C)C1CCCC1.CC(C)CC(C)C.CC(C)CCC(C)(C)C.CC(C)CCC(C)C.CC(C)CCC1CC1.CC(C)Cc1ccc(F)cc1.CC(C)Cc1ccc(F)cn1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CCC.Cc1cc(CC(C)C)ccc1F.Cc1cc(CC(C)C)ccc1F.Cc1cc(CC(C)C)ccc1F.Cc1ccc(CC(C)C)cc1C
InChIInChI=1S/C12H18.3C11H15F.C10H13F.C10H14.C9H12FN.C9H13N.C9H20.2C8H16.C8H18.C7H16.C3H8/c1-9(2)7-12-6-5-10(3)11(4)8-12;3*1-8(2)6-10-4-5-11(12)9(3)7-10;1-8(2)7-9-3-5-10(11)6-4-9;1-9(2)8-10-6-4-3-5-7-10;1-7(2)5-9-4-3-8(10)6-11-9;1-8(2)7-9-5-3-4-6-10-9;1-8(2)6-7-9(3,4)5;1-7(2)3-4-8-5-6-8;1-7(2)8-5-3-4-6-8;1-7(2)5-6-8(3)4;1-6(2)5-7(3)4;1-3-2/h5-6,8-9H,7H2,1-4H3;3*4-5,7-8H,6H2,1-3H3;3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-6,8H,7H2,1-2H3;8H,6-7H2,1-5H3;2*7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;6-7H,5H2,1-4H3;3H2,1-2H3
InChIKeySHRNQZMTLPWCRX-UHFFFAOYSA-N
MW1847.06 g/mol
LogP40.43
Rot. Bonds27

About 2,5-dimethylhexane;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylcyclopropane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,2,5-trimethylhexane

2,5-dimethylhexane;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylcyclopropane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,2,5-trimethylhexane (PubChem CID 160838269) has the molecular formula C126H209F5N2 and a molecular weight of 1847.06 g/mol. Its IUPAC name is 2,5-dimethylhexane;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylcyclopropane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,2,5-trimethylhexane.

Molecular Properties

Compound Name2,5-dimethylhexane;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylcyclopropane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,2,5-trimethylhexane
PubChem CID160838269
Molecular FormulaC126H209F5N2
Molecular Weight1847.06 g/mol
Exact Mass1845.63
IUPAC Name2,5-dimethylhexane;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylcyclopropane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,2,5-trimethylhexane
SMILESCC(C)C1CCCC1.CC(C)CC(C)C.CC(C)CCC(C)(C)C.CC(C)CCC(C)C.CC(C)CCC1CC1.CC(C)Cc1ccc(F)cc1.CC(C)Cc1ccc(F)cn1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CCC.Cc1cc(CC(C)C)ccc1F.Cc1cc(CC(C)C)ccc1F.Cc1cc(CC(C)C)ccc1F.Cc1ccc(CC(C)C)cc1C
InChIInChI=1S/C12H18.3C11H15F.C10H13F.C10H14.C9H12FN.C9H13N.C9H20.2C8H16.C8H18.C7H16.C3H8/c1-9(2)7-12-6-5-10(3)11(4)8-12;3*1-8(2)6-10-4-5-11(12)9(3)7-10;1-8(2)7-9-3-5-10(11)6-4-9;1-9(2)8-10-6-4-3-5-7-10;1-7(2)5-9-4-3-8(10)6-11-9;1-8(2)7-9-5-3-4-6-10-9;1-8(2)6-7-9(3,4)5;1-7(2)3-4-8-5-6-8;1-7(2)8-5-3-4-6-8;1-7(2)5-6-8(3)4;1-6(2)5-7(3)4;1-3-2/h5-6,8-9H,7H2,1-4H3;3*4-5,7-8H,6H2,1-3H3;3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-6,8H,7H2,1-2H3;8H,6-7H2,1-5H3;2*7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;6-7H,5H2,1-4H3;3H2,1-2H3
InChIKeySHRNQZMTLPWCRX-UHFFFAOYSA-N
XLogP40.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001847.06
LogP ≤ 540.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,5-dimethylhexane;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylcyclopropane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,2,5-trimethylhexane with MolForge

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Related Compounds

2,5-dimethylheptane;2,4-dimethylhexane;2,5-dimethylhexane;2,5-dimethylhex-2-ene;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);3-methylbutylcyclobutane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;1-methyl-4-(2-methylpropyl)benzene;1-methyl-1-(2-methylpropyl)cyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,5,5-trimethylheptane;bis(2,2,5-trimethylhexane);2,4,4-trimethylhexane
CID 159941822
1-fluoro-2-(2-methylpropyl)benzene;methane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine
CID 162035254
1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 145233135
4-cyclopentyl-1-(3,4-dimethylphenyl)-N-methylbutan-2-amine
CID 63526762
1-(4-ethylcyclohexyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105155309
1,2-dimethyl-4-(2-methylpropyl)benzene;5-(2,2-dimethylpropyl)benzene-1,3-diol;4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;1-(2,2-dimethylpropyl)-3-methoxy-5-methylbenzene;4-(2,2-dimethylpropyl)-3-methoxyphenol;2-(2,2-dimethylpropyl)-5-methylphenol;4-(2,2-dimethylpropyl)-2-methylphenol;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylbenzene;bis(2-methyl-1-(4-methylphenyl)propan-1-one);3-methyl-5-(2-methylpropyl)phenol;5-methyl-2-(2-methylpropyl)phenol;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;4-(2-methylpropyl)benzene-1,2-diol;5-(2-methylpropyl)-1H-indole;sulfur dioxide
CID 159909927
1-cyclopentyl-N-methyl-5-pyridin-2-ylpentan-3-amine
CID 114193168
4-[3-cyclopropyl-1-(3-propan-2-ylphenyl)propyl]-1-fluoro-2-methylbenzene
CID 144916573
1-cyclohexyl-N-methyl-2-pyridin-2-ylethanamine
CID 60819908
1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene
CID 157379401
4-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethylbutan-2-amine
CID 63527108
1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylhexane;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylcyclopropane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,2,5-trimethylhexane?
The IUPAC name of 2,5-dimethylhexane;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylcyclopropane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,2,5-trimethylhexane (CID 160838269) is 2,5-dimethylhexane;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylcyclopropane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,2,5-trimethylhexane.
What is the SMILES notation for 2,5-dimethylhexane;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylcyclopropane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,2,5-trimethylhexane?
The canonical SMILES for 2,5-dimethylhexane;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylcyclopropane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,2,5-trimethylhexane is CC(C)C1CCCC1.CC(C)CC(C)C.CC(C)CCC(C)(C)C.CC(C)CCC(C)C.CC(C)CCC1CC1.CC(C)Cc1ccc(F)cc1.CC(C)Cc1ccc(F)cn1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CCC.Cc1cc(CC(C)C)ccc1F.Cc1cc(CC(C)C)ccc1F.Cc1cc(CC(C)C)ccc1F.Cc1ccc(CC(C)C)cc1C.
What is the InChIKey of 2,5-dimethylhexane;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylcyclopropane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,2,5-trimethylhexane?
The InChIKey is SHRNQZMTLPWCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.3C11H15F.C10H13F.C10H14.C9H12FN.C9H13N.C9H20.2C8H16.C8H18.C7H16.C3H8/c1-9(2)7-12-6-5-10(3)11(4)8-12;3*1-8(2)6-10-4-5-11(12)9(3)7-10;1-8(2)7-9-3-5-10(11)6-4-9;1-9(2)8-10-6-4-3-5-7-10;1-7(2)5-9-4-3-8(10)6-11-9;1-8(2)7-9-5-3-4-6-10-9;1-8(2)6-7-9(3,4)5;1-7(2)3-4-8-5-6-8;1-7(2)8-5-3-4-6-8;1-7(2)5-6-8(3)4;1-6(2)5-7(3)4;1-3-2/h5-6,8-9H,7H2,1-4H3;3*4-5,7-8H,6H2,1-3H3;3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-6,8H,7H2,1-2H3;8H,6-7H2,1-5H3;2*7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;6-7H,5H2,1-4H3;3H2,1-2H3.
What are the key properties of 2,5-dimethylhexane;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylcyclopropane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,2,5-trimethylhexane?
2,5-dimethylhexane;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylcyclopropane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,2,5-trimethylhexane has a molecular weight of 1847.06 g/mol, XLogP of 40.43, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylhexane;1,2-dimethyl-4-(2-methylpropyl)benzene;2,4-dimethylpentane;tris(1-fluoro-2-methyl-4-(2-methylpropyl)benzene);1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-methylbutylcyclopropane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;propane;propan-2-ylcyclopentane;2,2,5-trimethylhexane is sourced from PubChem (CID 160838269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).