1-methoxy-2-(2-methoxypropoxy)propane;pentane

C13H30O3 — CID 118376955

IUPAC1-methoxy-2-(2-methoxypropoxy)propane;pentane
SMILESCCCCC.COCC(C)OCC(C)OC
InChIInChI=1S/C8H18O3.C5H12/c1-7(10-4)6-11-8(2)5-9-3;1-3-5-4-2/h7-8H,5-6H2,1-4H3;3-5H2,1-2H3
InChIKeyIHBBGMCWJQBUCT-UHFFFAOYSA-N
MW234.38 g/mol
LogP3.27
Rot. Bonds8

About 1-methoxy-2-(2-methoxypropoxy)propane;pentane

1-methoxy-2-(2-methoxypropoxy)propane;pentane (PubChem CID 118376955) has the molecular formula C13H30O3 and a molecular weight of 234.38 g/mol. Its IUPAC name is 1-methoxy-2-(2-methoxypropoxy)propane;pentane.

Molecular Properties

Compound Name1-methoxy-2-(2-methoxypropoxy)propane;pentane
PubChem CID118376955
Molecular FormulaC13H30O3
Molecular Weight234.38 g/mol
Exact Mass234.22
IUPAC Name1-methoxy-2-(2-methoxypropoxy)propane;pentane
SMILESCCCCC.COCC(C)OCC(C)OC
InChIInChI=1S/C8H18O3.C5H12/c1-7(10-4)6-11-8(2)5-9-3;1-3-5-4-2/h7-8H,5-6H2,1-4H3;3-5H2,1-2H3
InChIKeyIHBBGMCWJQBUCT-UHFFFAOYSA-N
XLogP3.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methane;1-methoxy-2-(2-methoxypropoxy)propane
CID 161499840
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 140766817
CID 162272100
CID 162272100
1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-(2-methoxypropoxy)propane
CID 158788669
1,2-dimethoxypropane;thulium
CID 175866702
1,2-dimethoxypropane;ytterbium
CID 175853617
1,2-dimethoxypropane;holmium
CID 175853773
2-(2-hydroxyethoxy)ethanol;1-methoxy-2-(2-methoxypropoxy)propane
CID 175459018
2-methoxy-1-(2-propoxypropoxy)propane
CID 174155722
1-(1-butoxypropan-2-yloxy)propan-2-ol;1-(1-methoxypropan-2-yloxy)propan-2-ol
CID 88546913
1-(1-methoxypropan-2-yloxy)propan-2-yl nonanoate
CID 91732580
2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 87899211

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(2-methoxypropoxy)propane;pentane?
The IUPAC name of 1-methoxy-2-(2-methoxypropoxy)propane;pentane (CID 118376955) is 1-methoxy-2-(2-methoxypropoxy)propane;pentane.
What is the SMILES notation for 1-methoxy-2-(2-methoxypropoxy)propane;pentane?
The canonical SMILES for 1-methoxy-2-(2-methoxypropoxy)propane;pentane is CCCCC.COCC(C)OCC(C)OC.
What is the InChIKey of 1-methoxy-2-(2-methoxypropoxy)propane;pentane?
The InChIKey is IHBBGMCWJQBUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3.C5H12/c1-7(10-4)6-11-8(2)5-9-3;1-3-5-4-2/h7-8H,5-6H2,1-4H3;3-5H2,1-2H3.
What are the key properties of 1-methoxy-2-(2-methoxypropoxy)propane;pentane?
1-methoxy-2-(2-methoxypropoxy)propane;pentane has a molecular weight of 234.38 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(2-methoxypropoxy)propane;pentane is sourced from PubChem (CID 118376955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).