2,4-dimethylhexane;ethane;1-ethyl-1-(2-methylpropyl)cyclopropane;methane;1-methyl-1-(3-methylbutyl)cyclopropane;2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;6-propan-2-yl-2-oxaspiro[3.3]heptane;3-propan-2-yloxetane;3-propan-2-yloxolane;2,2,3-trimethylbutane;2,2,5-trimethylhexane;2,4,4-trimethylhexane

C124H272O3 — CID 162120873

IUPAC2,4-dimethylhexane;ethane;1-ethyl-1-(2-methylpropyl)cyclopropane;methane;1-methyl-1-(3-methylbutyl)cyclopropane;2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;6-propan-2-yl-2-oxaspiro[3.3]heptane;3-propan-2-yloxetane;3-propan-2-yloxolane;2,2,3-trimethylbutane;2,2,5-trimethylhexane;2,4,4-trimethylhexane
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC(C)C(C)(C)C.CC(C)C1CC1.CC(C)C1CC2(COC2)C1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCOC1.CC(C)C1COC1.CC(C)CCC(C)(C)C.CC(C)CCC1(C)CC1.CCC(C)(C)CC(C)C.CCC(C)CC(C)C.CCC1(CC(C)C)CC1.CCCC(C)C
InChIInChI=1S/C9H16O.3C9H18.2C9H20.C8H16.C8H18.C7H14O.C7H14.C7H16.C6H12O.C6H12.C6H14.7C2H6.CH4/c1-7(2)8-3-9(4-8)5-10-6-9;1-8(2)4-5-9(3)6-7-9;1-8(2)9-6-4-3-5-7-9;1-4-9(5-6-9)7-8(2)3;1-8(2)6-7-9(3,4)5;1-6-9(4,5)7-8(2)3;1-7(2)8-5-3-4-6-8;1-5-8(4)6-7(2)3;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-7;1-6(2)7(3,4)5;1-5(2)6-3-7-4-6;1-5(2)6-3-4-6;1-4-5-6(2)3;7*1-2;/h7-8H,3-6H2,1-2H3;8H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;8H,4-7H2,1-3H3;2*8H,6-7H2,1-5H3;7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;6H,1-5H3;5-6H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;6H,4-5H2,1-3H3;7*1-2H3;1H4
InChIKeyZHJRUZNCSCKOOB-UHFFFAOYSA-N
MW1811.54 g/mol
LogP45.00
Rot. Bonds23

About 2,4-dimethylhexane;ethane;1-ethyl-1-(2-methylpropyl)cyclopropane;methane;1-methyl-1-(3-methylbutyl)cyclopropane;2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;6-propan-2-yl-2-oxaspiro[3.3]heptane;3-propan-2-yloxetane;3-propan-2-yloxolane;2,2,3-trimethylbutane;2,2,5-trimethylhexane;2,4,4-trimethylhexane

2,4-dimethylhexane;ethane;1-ethyl-1-(2-methylpropyl)cyclopropane;methane;1-methyl-1-(3-methylbutyl)cyclopropane;2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;6-propan-2-yl-2-oxaspiro[3.3]heptane;3-propan-2-yloxetane;3-propan-2-yloxolane;2,2,3-trimethylbutane;2,2,5-trimethylhexane;2,4,4-trimethylhexane (PubChem CID 162120873) has the molecular formula C124H272O3 and a molecular weight of 1811.54 g/mol. Its IUPAC name is 2,4-dimethylhexane;ethane;1-ethyl-1-(2-methylpropyl)cyclopropane;methane;1-methyl-1-(3-methylbutyl)cyclopropane;2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;6-propan-2-yl-2-oxaspiro[3.3]heptane;3-propan-2-yloxetane;3-propan-2-yloxolane;2,2,3-trimethylbutane;2,2,5-trimethylhexane;2,4,4-trimethylhexane.

Molecular Properties

Compound Name2,4-dimethylhexane;ethane;1-ethyl-1-(2-methylpropyl)cyclopropane;methane;1-methyl-1-(3-methylbutyl)cyclopropane;2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;6-propan-2-yl-2-oxaspiro[3.3]heptane;3-propan-2-yloxetane;3-propan-2-yloxolane;2,2,3-trimethylbutane;2,2,5-trimethylhexane;2,4,4-trimethylhexane
PubChem CID162120873
Molecular FormulaC124H272O3
Molecular Weight1811.54 g/mol
Exact Mass1810.11
IUPAC Name2,4-dimethylhexane;ethane;1-ethyl-1-(2-methylpropyl)cyclopropane;methane;1-methyl-1-(3-methylbutyl)cyclopropane;2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;6-propan-2-yl-2-oxaspiro[3.3]heptane;3-propan-2-yloxetane;3-propan-2-yloxolane;2,2,3-trimethylbutane;2,2,5-trimethylhexane;2,4,4-trimethylhexane
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC(C)C(C)(C)C.CC(C)C1CC1.CC(C)C1CC2(COC2)C1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCOC1.CC(C)C1COC1.CC(C)CCC(C)(C)C.CC(C)CCC1(C)CC1.CCC(C)(C)CC(C)C.CCC(C)CC(C)C.CCC1(CC(C)C)CC1.CCCC(C)C
InChIInChI=1S/C9H16O.3C9H18.2C9H20.C8H16.C8H18.C7H14O.C7H14.C7H16.C6H12O.C6H12.C6H14.7C2H6.CH4/c1-7(2)8-3-9(4-8)5-10-6-9;1-8(2)4-5-9(3)6-7-9;1-8(2)9-6-4-3-5-7-9;1-4-9(5-6-9)7-8(2)3;1-8(2)6-7-9(3,4)5;1-6-9(4,5)7-8(2)3;1-7(2)8-5-3-4-6-8;1-5-8(4)6-7(2)3;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-7;1-6(2)7(3,4)5;1-5(2)6-3-7-4-6;1-5(2)6-3-4-6;1-4-5-6(2)3;7*1-2;/h7-8H,3-6H2,1-2H3;8H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;8H,4-7H2,1-3H3;2*8H,6-7H2,1-5H3;7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;6H,1-5H3;5-6H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;6H,4-5H2,1-3H3;7*1-2H3;1H4
InChIKeyZHJRUZNCSCKOOB-UHFFFAOYSA-N
XLogP45.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001811.54
LogP ≤ 545.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-dimethylhexane;ethane;1-ethyl-1-(2-methylpropyl)cyclopropane;methane;1-methyl-1-(3-methylbutyl)cyclopropane;2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;6-propan-2-yl-2-oxaspiro[3.3]heptane;3-propan-2-yloxetane;3-propan-2-yloxolane;2,2,3-trimethylbutane;2,2,5-trimethylhexane;2,4,4-trimethylhexane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylhexane;ethane;1-ethyl-1-(2-methylpropyl)cyclopropane;methane;1-methyl-1-(3-methylbutyl)cyclopropane;2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;6-propan-2-yl-2-oxaspiro[3.3]heptane;3-propan-2-yloxetane;3-propan-2-yloxolane;2,2,3-trimethylbutane;2,2,5-trimethylhexane;2,4,4-trimethylhexane?
The IUPAC name of 2,4-dimethylhexane;ethane;1-ethyl-1-(2-methylpropyl)cyclopropane;methane;1-methyl-1-(3-methylbutyl)cyclopropane;2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;6-propan-2-yl-2-oxaspiro[3.3]heptane;3-propan-2-yloxetane;3-propan-2-yloxolane;2,2,3-trimethylbutane;2,2,5-trimethylhexane;2,4,4-trimethylhexane (CID 162120873) is 2,4-dimethylhexane;ethane;1-ethyl-1-(2-methylpropyl)cyclopropane;methane;1-methyl-1-(3-methylbutyl)cyclopropane;2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;6-propan-2-yl-2-oxaspiro[3.3]heptane;3-propan-2-yloxetane;3-propan-2-yloxolane;2,2,3-trimethylbutane;2,2,5-trimethylhexane;2,4,4-trimethylhexane.
What is the SMILES notation for 2,4-dimethylhexane;ethane;1-ethyl-1-(2-methylpropyl)cyclopropane;methane;1-methyl-1-(3-methylbutyl)cyclopropane;2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;6-propan-2-yl-2-oxaspiro[3.3]heptane;3-propan-2-yloxetane;3-propan-2-yloxolane;2,2,3-trimethylbutane;2,2,5-trimethylhexane;2,4,4-trimethylhexane?
The canonical SMILES for 2,4-dimethylhexane;ethane;1-ethyl-1-(2-methylpropyl)cyclopropane;methane;1-methyl-1-(3-methylbutyl)cyclopropane;2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;6-propan-2-yl-2-oxaspiro[3.3]heptane;3-propan-2-yloxetane;3-propan-2-yloxolane;2,2,3-trimethylbutane;2,2,5-trimethylhexane;2,4,4-trimethylhexane is C.CC.CC.CC.CC.CC.CC.CC.CC(C)C(C)(C)C.CC(C)C1CC1.CC(C)C1CC2(COC2)C1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCOC1.CC(C)C1COC1.CC(C)CCC(C)(C)C.CC(C)CCC1(C)CC1.CCC(C)(C)CC(C)C.CCC(C)CC(C)C.CCC1(CC(C)C)CC1.CCCC(C)C.
What is the InChIKey of 2,4-dimethylhexane;ethane;1-ethyl-1-(2-methylpropyl)cyclopropane;methane;1-methyl-1-(3-methylbutyl)cyclopropane;2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;6-propan-2-yl-2-oxaspiro[3.3]heptane;3-propan-2-yloxetane;3-propan-2-yloxolane;2,2,3-trimethylbutane;2,2,5-trimethylhexane;2,4,4-trimethylhexane?
The InChIKey is ZHJRUZNCSCKOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O.3C9H18.2C9H20.C8H16.C8H18.C7H14O.C7H14.C7H16.C6H12O.C6H12.C6H14.7C2H6.CH4/c1-7(2)8-3-9(4-8)5-10-6-9;1-8(2)4-5-9(3)6-7-9;1-8(2)9-6-4-3-5-7-9;1-4-9(5-6-9)7-8(2)3;1-8(2)6-7-9(3,4)5;1-6-9(4,5)7-8(2)3;1-7(2)8-5-3-4-6-8;1-5-8(4)6-7(2)3;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-7;1-6(2)7(3,4)5;1-5(2)6-3-7-4-6;1-5(2)6-3-4-6;1-4-5-6(2)3;7*1-2;/h7-8H,3-6H2,1-2H3;8H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;8H,4-7H2,1-3H3;2*8H,6-7H2,1-5H3;7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;6H,1-5H3;5-6H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;6H,4-5H2,1-3H3;7*1-2H3;1H4.
What are the key properties of 2,4-dimethylhexane;ethane;1-ethyl-1-(2-methylpropyl)cyclopropane;methane;1-methyl-1-(3-methylbutyl)cyclopropane;2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;6-propan-2-yl-2-oxaspiro[3.3]heptane;3-propan-2-yloxetane;3-propan-2-yloxolane;2,2,3-trimethylbutane;2,2,5-trimethylhexane;2,4,4-trimethylhexane?
2,4-dimethylhexane;ethane;1-ethyl-1-(2-methylpropyl)cyclopropane;methane;1-methyl-1-(3-methylbutyl)cyclopropane;2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;6-propan-2-yl-2-oxaspiro[3.3]heptane;3-propan-2-yloxetane;3-propan-2-yloxolane;2,2,3-trimethylbutane;2,2,5-trimethylhexane;2,4,4-trimethylhexane has a molecular weight of 1811.54 g/mol, XLogP of 45.00, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylhexane;ethane;1-ethyl-1-(2-methylpropyl)cyclopropane;methane;1-methyl-1-(3-methylbutyl)cyclopropane;2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;6-propan-2-yl-2-oxaspiro[3.3]heptane;3-propan-2-yloxetane;3-propan-2-yloxolane;2,2,3-trimethylbutane;2,2,5-trimethylhexane;2,4,4-trimethylhexane is sourced from PubChem (CID 162120873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).