2-[difluoro(propan-2-yloxy)methoxy]propane;2,5-dimethyl-2-propan-2-yloxyhexane;methane;2-methyl-4-propan-2-yloxypentane;2-(propan-2-yloxymethoxy)propane

C39H94F2O6 — CID 159340063

IUPAC2-[difluoro(propan-2-yloxy)methoxy]propane;2,5-dimethyl-2-propan-2-yloxyhexane;methane;2-methyl-4-propan-2-yloxypentane;2-(propan-2-yloxymethoxy)propane
SMILESC.C.C.C.C.CC(C)CC(C)OC(C)C.CC(C)CCC(C)(C)OC(C)C.CC(C)OC(F)(F)OC(C)C.CC(C)OCOC(C)C
InChIInChI=1S/C11H24O.C9H20O.C7H14F2O2.C7H16O2.5CH4/c1-9(2)7-8-11(5,6)12-10(3)4;1-7(2)6-9(5)10-8(3)4;1-5(2)10-7(8,9)11-6(3)4;1-6(2)8-5-9-7(3)4;;;;;/h9-10H,7-8H2,1-6H3;7-9H,6H2,1-5H3;5-6H,1-4H3;6-7H,5H2,1-4H3;5*1H4
InChIKeyLGAJVKHXWLYMJG-UHFFFAOYSA-N
MW697.17 g/mol
LogP13.83
Rot. Bonds17

About 2-[difluoro(propan-2-yloxy)methoxy]propane;2,5-dimethyl-2-propan-2-yloxyhexane;methane;2-methyl-4-propan-2-yloxypentane;2-(propan-2-yloxymethoxy)propane

2-[difluoro(propan-2-yloxy)methoxy]propane;2,5-dimethyl-2-propan-2-yloxyhexane;methane;2-methyl-4-propan-2-yloxypentane;2-(propan-2-yloxymethoxy)propane (PubChem CID 159340063) has the molecular formula C39H94F2O6 and a molecular weight of 697.17 g/mol. Its IUPAC name is 2-[difluoro(propan-2-yloxy)methoxy]propane;2,5-dimethyl-2-propan-2-yloxyhexane;methane;2-methyl-4-propan-2-yloxypentane;2-(propan-2-yloxymethoxy)propane.

Molecular Properties

Compound Name2-[difluoro(propan-2-yloxy)methoxy]propane;2,5-dimethyl-2-propan-2-yloxyhexane;methane;2-methyl-4-propan-2-yloxypentane;2-(propan-2-yloxymethoxy)propane
PubChem CID159340063
Molecular FormulaC39H94F2O6
Molecular Weight697.17 g/mol
Exact Mass696.70
IUPAC Name2-[difluoro(propan-2-yloxy)methoxy]propane;2,5-dimethyl-2-propan-2-yloxyhexane;methane;2-methyl-4-propan-2-yloxypentane;2-(propan-2-yloxymethoxy)propane
SMILESC.C.C.C.C.CC(C)CC(C)OC(C)C.CC(C)CCC(C)(C)OC(C)C.CC(C)OC(F)(F)OC(C)C.CC(C)OCOC(C)C
InChIInChI=1S/C11H24O.C9H20O.C7H14F2O2.C7H16O2.5CH4/c1-9(2)7-8-11(5,6)12-10(3)4;1-7(2)6-9(5)10-8(3)4;1-5(2)10-7(8,9)11-6(3)4;1-6(2)8-5-9-7(3)4;;;;;/h9-10H,7-8H2,1-6H3;7-9H,6H2,1-5H3;5-6H,1-4H3;6-7H,5H2,1-4H3;5*1H4
InChIKeyLGAJVKHXWLYMJG-UHFFFAOYSA-N
XLogP13.83
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.17
LogP ≤ 513.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[difluoro(propan-2-yloxy)methoxy]propane;2,5-dimethyl-2-propan-2-yloxyhexane;methane;2-methyl-4-propan-2-yloxypentane;2-(propan-2-yloxymethoxy)propane with MolForge

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Related Compounds

2-[difluoro(propan-2-yloxy)methoxy]propane;2,5-dimethyl-2-propan-2-yloxyhexane;2-methyl-4-propan-2-yloxypentane;2-(propan-2-yloxymethoxy)propane
CID 160632577
(4S)-2-methyl-4-propan-2-yloxypentane
CID 155647514
2-methyl-6-propan-2-yloxyheptane
CID 158226475
2,2-difluoro-6-methyl-1-propan-2-yloxyheptane
CID 58275563
3-(4-methylpentan-2-yloxy)butan-1-amine
CID 114995279
2,2,6-trimethyl-3,3-di(propan-2-yloxy)heptane
CID 139690871
4-methyl-3-(4-methylpentan-2-yloxy)-1-propan-2-yloxypentane
CID 123262229
2,5-dimethylhexan-2-yl formate
CID 58262638
2,2-difluoro-3-(4-methylpentan-2-yloxy)propan-1-amine
CID 165466400
methane;2-(2-propan-2-yloxyethoxy)propane;2-(propan-2-yloxymethoxy)propane
CID 159716296
ethane;1,1,1-trifluoro-4-methylpentane
CID 142517870
2-(1-hydroperoxy-2-methylpropan-2-yl)peroxy-2,5-dimethylhexane
CID 156888040

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(propan-2-yloxy)methoxy]propane;2,5-dimethyl-2-propan-2-yloxyhexane;methane;2-methyl-4-propan-2-yloxypentane;2-(propan-2-yloxymethoxy)propane?
The IUPAC name of 2-[difluoro(propan-2-yloxy)methoxy]propane;2,5-dimethyl-2-propan-2-yloxyhexane;methane;2-methyl-4-propan-2-yloxypentane;2-(propan-2-yloxymethoxy)propane (CID 159340063) is 2-[difluoro(propan-2-yloxy)methoxy]propane;2,5-dimethyl-2-propan-2-yloxyhexane;methane;2-methyl-4-propan-2-yloxypentane;2-(propan-2-yloxymethoxy)propane.
What is the SMILES notation for 2-[difluoro(propan-2-yloxy)methoxy]propane;2,5-dimethyl-2-propan-2-yloxyhexane;methane;2-methyl-4-propan-2-yloxypentane;2-(propan-2-yloxymethoxy)propane?
The canonical SMILES for 2-[difluoro(propan-2-yloxy)methoxy]propane;2,5-dimethyl-2-propan-2-yloxyhexane;methane;2-methyl-4-propan-2-yloxypentane;2-(propan-2-yloxymethoxy)propane is C.C.C.C.C.CC(C)CC(C)OC(C)C.CC(C)CCC(C)(C)OC(C)C.CC(C)OC(F)(F)OC(C)C.CC(C)OCOC(C)C.
What is the InChIKey of 2-[difluoro(propan-2-yloxy)methoxy]propane;2,5-dimethyl-2-propan-2-yloxyhexane;methane;2-methyl-4-propan-2-yloxypentane;2-(propan-2-yloxymethoxy)propane?
The InChIKey is LGAJVKHXWLYMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O.C9H20O.C7H14F2O2.C7H16O2.5CH4/c1-9(2)7-8-11(5,6)12-10(3)4;1-7(2)6-9(5)10-8(3)4;1-5(2)10-7(8,9)11-6(3)4;1-6(2)8-5-9-7(3)4;;;;;/h9-10H,7-8H2,1-6H3;7-9H,6H2,1-5H3;5-6H,1-4H3;6-7H,5H2,1-4H3;5*1H4.
What are the key properties of 2-[difluoro(propan-2-yloxy)methoxy]propane;2,5-dimethyl-2-propan-2-yloxyhexane;methane;2-methyl-4-propan-2-yloxypentane;2-(propan-2-yloxymethoxy)propane?
2-[difluoro(propan-2-yloxy)methoxy]propane;2,5-dimethyl-2-propan-2-yloxyhexane;methane;2-methyl-4-propan-2-yloxypentane;2-(propan-2-yloxymethoxy)propane has a molecular weight of 697.17 g/mol, XLogP of 13.83, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(propan-2-yloxy)methoxy]propane;2,5-dimethyl-2-propan-2-yloxyhexane;methane;2-methyl-4-propan-2-yloxypentane;2-(propan-2-yloxymethoxy)propane is sourced from PubChem (CID 159340063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).