1,3-dimethoxy-2,2-dimethylpropane;1-ethoxy-3-methoxy-2-(methoxymethyl)-2-methylpropane;methane;1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane;bis(1-methoxypentane)

C39H89F3O9 — CID 161353946

IUPAC1,3-dimethoxy-2,2-dimethylpropane;1-ethoxy-3-methoxy-2-(methoxymethyl)-2-methylpropane;methane;1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane;bis(1-methoxypentane)
SMILESC.C.CCC(C)(COC)COCC(F)(F)F.CCCCCOC.CCCCCOC.CCOCC(C)(COC)COC.COCC(C)(C)COC
InChIInChI=1S/C9H17F3O2.C9H20O3.C7H16O2.2C6H14O.2CH4/c1-4-8(2,5-13-3)6-14-7-9(10,11)12;1-5-12-8-9(2,6-10-3)7-11-4;1-7(2,5-8-3)6-9-4;2*1-3-4-5-6-7-2;;/h4-7H2,1-3H3;5-8H2,1-4H3;5-6H2,1-4H3;2*3-6H2,1-2H3;2*1H4
InChIKeyVOHBWOZHIQAPBE-UHFFFAOYSA-N
MW759.13 g/mol
LogP10.17
Rot. Bonds25

About 1,3-dimethoxy-2,2-dimethylpropane;1-ethoxy-3-methoxy-2-(methoxymethyl)-2-methylpropane;methane;1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane;bis(1-methoxypentane)

1,3-dimethoxy-2,2-dimethylpropane;1-ethoxy-3-methoxy-2-(methoxymethyl)-2-methylpropane;methane;1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane;bis(1-methoxypentane) (PubChem CID 161353946) has the molecular formula C39H89F3O9 and a molecular weight of 759.13 g/mol. Its IUPAC name is 1,3-dimethoxy-2,2-dimethylpropane;1-ethoxy-3-methoxy-2-(methoxymethyl)-2-methylpropane;methane;1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane;bis(1-methoxypentane).

Molecular Properties

Compound Name1,3-dimethoxy-2,2-dimethylpropane;1-ethoxy-3-methoxy-2-(methoxymethyl)-2-methylpropane;methane;1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane;bis(1-methoxypentane)
PubChem CID161353946
Molecular FormulaC39H89F3O9
Molecular Weight759.13 g/mol
Exact Mass758.65
IUPAC Name1,3-dimethoxy-2,2-dimethylpropane;1-ethoxy-3-methoxy-2-(methoxymethyl)-2-methylpropane;methane;1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane;bis(1-methoxypentane)
SMILESC.C.CCC(C)(COC)COCC(F)(F)F.CCCCCOC.CCCCCOC.CCOCC(C)(COC)COC.COCC(C)(C)COC
InChIInChI=1S/C9H17F3O2.C9H20O3.C7H16O2.2C6H14O.2CH4/c1-4-8(2,5-13-3)6-14-7-9(10,11)12;1-5-12-8-9(2,6-10-3)7-11-4;1-7(2,5-8-3)6-9-4;2*1-3-4-5-6-7-2;;/h4-7H2,1-3H3;5-8H2,1-4H3;5-6H2,1-4H3;2*3-6H2,1-2H3;2*1H4
InChIKeyVOHBWOZHIQAPBE-UHFFFAOYSA-N
XLogP10.17
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds25
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.13
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,3-dimethoxy-2,2-dimethylpropane;1-ethoxy-3-methoxy-2-(methoxymethyl)-2-methylpropane;methane;1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane;bis(1-methoxypentane) with MolForge

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Related Compounds

1,3-dimethoxy-2,2-dimethylpropane;1-ethoxy-2-(methoxymethyl)-2-methylbutane;methane;1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane;bis(1-methoxypentane)
CID 159392290
2-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine
CID 106705978
3-(methoxymethyl)-3-methylheptane
CID 91024730
1-methoxyhexacosane
CID 20780514
1-ethoxy-5-methoxy-2-methylpentan-2-ol
CID 114852753
ethane;1-(2,2,2-trifluoroethoxy)butane
CID 170752039
2-[2-[(3-methoxy-2,2-dimethylpropoxy)methyl]-2-methylbutoxy]-4-(3-methoxypropyl)-1-methylbenzene
CID 170966339
3,5-bis(methoxymethyl)-3,5-dimethylheptane
CID 21036025
azane;1-methoxydodecane
CID 174553670
4-ethoxy-1-methoxy-2,2-dimethylbutane
CID 102175651
2-[[2,2-dimethyl-3-[2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butoxy]propoxy]methyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propan-1-ol;methane
CID 162234172
1-(4,4,4-trifluorobutoxy)heptane
CID 54323453

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-2,2-dimethylpropane;1-ethoxy-3-methoxy-2-(methoxymethyl)-2-methylpropane;methane;1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane;bis(1-methoxypentane)?
The IUPAC name of 1,3-dimethoxy-2,2-dimethylpropane;1-ethoxy-3-methoxy-2-(methoxymethyl)-2-methylpropane;methane;1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane;bis(1-methoxypentane) (CID 161353946) is 1,3-dimethoxy-2,2-dimethylpropane;1-ethoxy-3-methoxy-2-(methoxymethyl)-2-methylpropane;methane;1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane;bis(1-methoxypentane).
What is the SMILES notation for 1,3-dimethoxy-2,2-dimethylpropane;1-ethoxy-3-methoxy-2-(methoxymethyl)-2-methylpropane;methane;1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane;bis(1-methoxypentane)?
The canonical SMILES for 1,3-dimethoxy-2,2-dimethylpropane;1-ethoxy-3-methoxy-2-(methoxymethyl)-2-methylpropane;methane;1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane;bis(1-methoxypentane) is C.C.CCC(C)(COC)COCC(F)(F)F.CCCCCOC.CCCCCOC.CCOCC(C)(COC)COC.COCC(C)(C)COC.
What is the InChIKey of 1,3-dimethoxy-2,2-dimethylpropane;1-ethoxy-3-methoxy-2-(methoxymethyl)-2-methylpropane;methane;1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane;bis(1-methoxypentane)?
The InChIKey is VOHBWOZHIQAPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3O2.C9H20O3.C7H16O2.2C6H14O.2CH4/c1-4-8(2,5-13-3)6-14-7-9(10,11)12;1-5-12-8-9(2,6-10-3)7-11-4;1-7(2,5-8-3)6-9-4;2*1-3-4-5-6-7-2;;/h4-7H2,1-3H3;5-8H2,1-4H3;5-6H2,1-4H3;2*3-6H2,1-2H3;2*1H4.
What are the key properties of 1,3-dimethoxy-2,2-dimethylpropane;1-ethoxy-3-methoxy-2-(methoxymethyl)-2-methylpropane;methane;1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane;bis(1-methoxypentane)?
1,3-dimethoxy-2,2-dimethylpropane;1-ethoxy-3-methoxy-2-(methoxymethyl)-2-methylpropane;methane;1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane;bis(1-methoxypentane) has a molecular weight of 759.13 g/mol, XLogP of 10.17, 25 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-2,2-dimethylpropane;1-ethoxy-3-methoxy-2-(methoxymethyl)-2-methylpropane;methane;1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane;bis(1-methoxypentane) is sourced from PubChem (CID 161353946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).