2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-(2-methylpropoxy)propoxy]propane;propane

C22H50O3 — CID 162007152

IUPAC2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-(2-methylpropoxy)propoxy]propane;propane
SMILESCC(C)COCC(C)C.CC(C)COCC(C)OCC(C)C.CCC
InChIInChI=1S/C11H24O2.C8H18O.C3H8/c1-9(2)6-12-8-11(5)13-7-10(3)4;1-7(2)5-9-6-8(3)4;1-3-2/h9-11H,6-8H2,1-5H3;7-8H,5-6H2,1-4H3;3H2,1-2H3
InChIKeyYSZFNMOZODJWAS-UHFFFAOYSA-N
MW362.64 g/mol
LogP6.45
Rot. Bonds11

About 2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-(2-methylpropoxy)propoxy]propane;propane

2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-(2-methylpropoxy)propoxy]propane;propane (PubChem CID 162007152) has the molecular formula C22H50O3 and a molecular weight of 362.64 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-(2-methylpropoxy)propoxy]propane;propane.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-(2-methylpropoxy)propoxy]propane;propane
PubChem CID162007152
Molecular FormulaC22H50O3
Molecular Weight362.64 g/mol
Exact Mass362.38
IUPAC Name2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-(2-methylpropoxy)propoxy]propane;propane
SMILESCC(C)COCC(C)C.CC(C)COCC(C)OCC(C)C.CCC
InChIInChI=1S/C11H24O2.C8H18O.C3H8/c1-9(2)6-12-8-11(5)13-7-10(3)4;1-7(2)5-9-6-8(3)4;1-3-2/h9-11H,6-8H2,1-5H3;7-8H,5-6H2,1-4H3;3H2,1-2H3
InChIKeyYSZFNMOZODJWAS-UHFFFAOYSA-N
XLogP6.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.64
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[1-[2-[2-(2-methylpropoxy)propoxy]ethoxy]propan-2-yloxy]propane
CID 58121620
2-ethoxy-1-(2-ethoxypropoxy)propane
CID 21277912
methane;2-methyl-1-(2-methylpropoxy)propane
CID 162245040
1-[1-[1-(2-methylpropoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate
CID 87296802
ethanol;2-methyl-1-(2-methylpropoxy)propane
CID 23506368
2-methylbutane;2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-(2-methylpropoxy)propoxy]propane;2-methylpentane;1-propoxypropane;1-propylsulfanylpropane
CID 159693958
1-[1-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yloxy]propan-2-yloxy]-2-methylpropane
CID 118672569
1-(dimethylamino)-2-[2-[2-(dimethylamino)-2-hydroxyethoxy]propoxy]ethanol
CID 170282514
(2R)-1,2-diethoxypropane
CID 92973991
2-(2-methylpropoxy)propyl 2-methylbutanoate
CID 174484897
2-(2-chloroethoxy)-1-[2-[2-(2-chloroethoxy)propoxy]propoxy]propane
CID 71321218
1-(1-iodopropoxy)-2-methylpropane
CID 139652080

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-(2-methylpropoxy)propoxy]propane;propane?
The IUPAC name of 2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-(2-methylpropoxy)propoxy]propane;propane (CID 162007152) is 2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-(2-methylpropoxy)propoxy]propane;propane.
What is the SMILES notation for 2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-(2-methylpropoxy)propoxy]propane;propane?
The canonical SMILES for 2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-(2-methylpropoxy)propoxy]propane;propane is CC(C)COCC(C)C.CC(C)COCC(C)OCC(C)C.CCC.
What is the InChIKey of 2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-(2-methylpropoxy)propoxy]propane;propane?
The InChIKey is YSZFNMOZODJWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2.C8H18O.C3H8/c1-9(2)6-12-8-11(5)13-7-10(3)4;1-7(2)5-9-6-8(3)4;1-3-2/h9-11H,6-8H2,1-5H3;7-8H,5-6H2,1-4H3;3H2,1-2H3.
What are the key properties of 2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-(2-methylpropoxy)propoxy]propane;propane?
2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-(2-methylpropoxy)propoxy]propane;propane has a molecular weight of 362.64 g/mol, XLogP of 6.45, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-(2-methylpropoxy)propoxy]propane;propane is sourced from PubChem (CID 162007152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).