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

C9H22O3 — CID 161499840

IUPACmethane;1-methoxy-2-(2-methoxypropoxy)propane
SMILESC.COCC(C)OCC(C)OC
InChIInChI=1S/C8H18O3.CH4/c1-7(10-4)6-11-8(2)5-9-3;/h7-8H,5-6H2,1-4H3;1H4
InChIKeyXOAQUHIMCOBZGH-UHFFFAOYSA-N
MW178.27 g/mol
LogP1.71
Rot. Bonds6

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

methane;1-methoxy-2-(2-methoxypropoxy)propane (PubChem CID 161499840) has the molecular formula C9H22O3 and a molecular weight of 178.27 g/mol. Its IUPAC name is methane;1-methoxy-2-(2-methoxypropoxy)propane.

Molecular Properties

Compound Namemethane;1-methoxy-2-(2-methoxypropoxy)propane
PubChem CID161499840
Molecular FormulaC9H22O3
Molecular Weight178.27 g/mol
Exact Mass178.16
IUPAC Namemethane;1-methoxy-2-(2-methoxypropoxy)propane
SMILESC.COCC(C)OCC(C)OC
InChIInChI=1S/C8H18O3.CH4/c1-7(10-4)6-11-8(2)5-9-3;/h7-8H,5-6H2,1-4H3;1H4
InChIKeyXOAQUHIMCOBZGH-UHFFFAOYSA-N
XLogP1.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 162272100
CID 162272100
1-methoxy-2-(2-methoxypropoxy)propane;pentane
CID 118376955
1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-(2-methoxypropoxy)propane
CID 158788669
1,2-dimethoxypropane;ytterbium
CID 175853617
1,2-dimethoxypropane;thulium
CID 175866702
1,2-dimethoxypropane;holmium
CID 175853773
2-(2-hydroxyethoxy)ethanol;1-methoxy-2-(2-methoxypropoxy)propane
CID 175459018
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 87903083
2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 87899211
methoxymethane;2-[2-(2-methoxypropoxy)propoxy]propan-1-ol
CID 161462998
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-3-methylbutane
CID 140766822
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429

Frequently Asked Questions

What is the IUPAC name of methane;1-methoxy-2-(2-methoxypropoxy)propane?
The IUPAC name of methane;1-methoxy-2-(2-methoxypropoxy)propane (CID 161499840) is methane;1-methoxy-2-(2-methoxypropoxy)propane.
What is the SMILES notation for methane;1-methoxy-2-(2-methoxypropoxy)propane?
The canonical SMILES for methane;1-methoxy-2-(2-methoxypropoxy)propane is C.COCC(C)OCC(C)OC.
What is the InChIKey of methane;1-methoxy-2-(2-methoxypropoxy)propane?
The InChIKey is XOAQUHIMCOBZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3.CH4/c1-7(10-4)6-11-8(2)5-9-3;/h7-8H,5-6H2,1-4H3;1H4.
What are the key properties of methane;1-methoxy-2-(2-methoxypropoxy)propane?
methane;1-methoxy-2-(2-methoxypropoxy)propane has a molecular weight of 178.27 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methoxy-2-(2-methoxypropoxy)propane is sourced from PubChem (CID 161499840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).